Phenylmethylamines

Organic compounds that contain a phenyl ring with a methyl group bonded to an amino functional group.

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91 – 105 of 1,545 results

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4-Fluorobenzylamine, 98+%

CAS: 140-75-0 Molecular Formula: C7H8FN Molecular Weight (g/mol): 125.146 MDL Number: MFCD00008120 InChI Key: IIFVWLUQBAIPMJ-UHFFFAOYSA-N Synonym: 4-fluorobenzylamine,4-fluorophenyl methanamine,benzenemethanamine, 4-fluoro,p-fluorobenzylamine,benzylamine, p-fluoro,p-fluorobenzyl amine,4-fluoro-benzylamine,1-4-fluorophenyl methanamine,4-fluorobenzyl amine,chembl12392 PubChem CID: 67326 IUPAC Name: (4-fluorophenyl)methanamine SMILES: C1=CC(=CC=C1CN)F

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PubChem CID	67326
CAS	140-75-0
Molecular Weight (g/mol)	125.146
MDL Number	MFCD00008120
SMILES	C1=CC(=CC=C1CN)F
Synonym	4-fluorobenzylamine,4-fluorophenyl methanamine,benzenemethanamine, 4-fluoro,p-fluorobenzylamine,benzylamine, p-fluoro,p-fluorobenzyl amine,4-fluoro-benzylamine,1-4-fluorophenyl methanamine,4-fluorobenzyl amine,chembl12392
IUPAC Name	(4-fluorophenyl)methanamine
InChI Key	IIFVWLUQBAIPMJ-UHFFFAOYSA-N
Molecular Formula	C7H8FN

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4-chlorobenzylamine, 98%

CAS: 104-86-9 Molecular Formula: C₇H₈ClN Molecular Weight (g/mol): 141.6 MDL Number: MFCD00008121 InChI Key: YMVFJGSXZNNUDW-UHFFFAOYSA-N Synonym: 4-chlorobenzylamine,4-chlorophenyl methanamine,p-chlorobenzylamine,benzenemethanamine, 4-chloro,1-4-chlorophenyl methanamine,4-chloro-benzylamine,benzylamine, p-chloro,4-chlorophenyl methylamine,para-chlorobenzylamine,chembl13218 PubChem CID: 66036 IUPAC Name: (4-chlorophenyl)methanamine SMILES: C1=CC(=CC=C1CN)Cl

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PubChem CID	66036
CAS	104-86-9
Molecular Weight (g/mol)	141.6
MDL Number	MFCD00008121
SMILES	C1=CC(=CC=C1CN)Cl
Synonym	4-chlorobenzylamine,4-chlorophenyl methanamine,p-chlorobenzylamine,benzenemethanamine, 4-chloro,1-4-chlorophenyl methanamine,4-chloro-benzylamine,benzylamine, p-chloro,4-chlorophenyl methylamine,para-chlorobenzylamine,chembl13218
IUPAC Name	(4-chlorophenyl)methanamine
InChI Key	YMVFJGSXZNNUDW-UHFFFAOYSA-N
Molecular Formula	C₇H₈ClN

N-Methyl-N-(2-thien-2-ylbenzyl)amine, 97%, Thermo Scientific™

CAS: 852180-66-6 Molecular Formula: C12H13NS Molecular Weight (g/mol): 203.303 MDL Number: MFCD07368538 InChI Key: MRKJJEJYTBOUTH-UHFFFAOYSA-N Synonym: n-methyl-n-2-thien-2-ylbenzyl amine,n-methyl-1-2-thiophen-2-ylphenyl methanamine,n-methyl-2-thien-2-ylbenzylamine,methyl 2-thiophen-2-yl phenyl methyl amine,n-methyl-1-2-thiophen-2-yl phenyl methanamine,d0a2yg,n-methyl-n-2-thiophen-2-ylbenzyl amine,methyl 2-2-thienyl phenyl methyl amine,benzenemethanamine,n-methyl-2-2-thienyl,benzenemethanamine, n-methyl-2-2-thienyl PubChem CID: 7060565 IUPAC Name: N-methyl-1-(2-thiophen-2-ylphenyl)methanamine SMILES: CNCC1=CC=CC=C1C2=CC=CS2

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PubChem CID	7060565
CAS	852180-66-6
Molecular Weight (g/mol)	203.303
MDL Number	MFCD07368538
SMILES	CNCC1=CC=CC=C1C2=CC=CS2
Synonym	n-methyl-n-2-thien-2-ylbenzyl amine,n-methyl-1-2-thiophen-2-ylphenyl methanamine,n-methyl-2-thien-2-ylbenzylamine,methyl 2-thiophen-2-yl phenyl methyl amine,n-methyl-1-2-thiophen-2-yl phenyl methanamine,d0a2yg,n-methyl-n-2-thiophen-2-ylbenzyl amine,methyl 2-2-thienyl phenyl methyl amine,benzenemethanamine,n-methyl-2-2-thienyl,benzenemethanamine, n-methyl-2-2-thienyl
IUPAC Name	N-methyl-1-(2-thiophen-2-ylphenyl)methanamine
InChI Key	MRKJJEJYTBOUTH-UHFFFAOYSA-N
Molecular Formula	C12H13NS

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Benzylamine, 98+%

CAS: 100-46-9 Molecular Formula: C7H9N Molecular Weight (g/mol): 107.156 MDL Number: MFCD00008106 InChI Key: WGQKYBSKWIADBV-UHFFFAOYSA-N Synonym: benzylamine,benzenemethanamine,monobenzylamine,alpha-aminotoluene,phenylmethyl amine,aminomethyl benzene,1-phenylmethanamine,moringine,n-benzylamine,phenylmethylamine PubChem CID: 7504 ChEBI: CHEBI:40538 IUPAC Name: phenylmethanamine SMILES: C1=CC=C(C=C1)CN

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PubChem CID	7504
CAS	100-46-9
Molecular Weight (g/mol)	107.156
ChEBI	CHEBI:40538
MDL Number	MFCD00008106
SMILES	C1=CC=C(C=C1)CN
Synonym	benzylamine,benzenemethanamine,monobenzylamine,alpha-aminotoluene,phenylmethyl amine,aminomethyl benzene,1-phenylmethanamine,moringine,n-benzylamine,phenylmethylamine
IUPAC Name	phenylmethanamine
InChI Key	WGQKYBSKWIADBV-UHFFFAOYSA-N
Molecular Formula	C7H9N

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3-Bromo-4-fluorobenzylamine hydrochloride, 98%, Thermo Scientific Chemicals

CAS: 202865-68-7 Molecular Formula: C7H8BrClFN Molecular Weight (g/mol): 240.50 MDL Number: MFCD00143094 InChI Key: RSFNYNQGERWCMT-UHFFFAOYSA-N Synonym: 3-bromo-4-fluorobenzylamine hydrochloride,3-bromo-4-fluorophenyl methanamine hydrochloride,3-bromo-4-fluorobenzylamine hcl,1-3-bromo-4-fluorophenyl methanamine hydrochloride,3-bromo-4-fluorophenyl methylamine, chloride,1-3-bromo-4-fluorophenyl methylamine hydrochloride,benzenemethanamine, 3-bromo-4-fluoro-, hydrochloride,pubchem3226,3-bromo-4-fluorobenzylaminehydrochloride,acmc-1bczm PubChem CID: 2724901 IUPAC Name: (3-bromo-4-fluorophenyl)methanamine;hydrochloride SMILES: Cl.NCC1=CC(Br)=C(F)C=C1

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PubChem CID	2724901
CAS	202865-68-7
Molecular Weight (g/mol)	240.50
MDL Number	MFCD00143094
SMILES	Cl.NCC1=CC(Br)=C(F)C=C1
Synonym	3-bromo-4-fluorobenzylamine hydrochloride,3-bromo-4-fluorophenyl methanamine hydrochloride,3-bromo-4-fluorobenzylamine hcl,1-3-bromo-4-fluorophenyl methanamine hydrochloride,3-bromo-4-fluorophenyl methylamine, chloride,1-3-bromo-4-fluorophenyl methylamine hydrochloride,benzenemethanamine, 3-bromo-4-fluoro-, hydrochloride,pubchem3226,3-bromo-4-fluorobenzylaminehydrochloride,acmc-1bczm
IUPAC Name	(3-bromo-4-fluorophenyl)methanamine;hydrochloride
InChI Key	RSFNYNQGERWCMT-UHFFFAOYSA-N
Molecular Formula	C7H8BrClFN

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1-Benzyl-3-pyrroline, 98%

CAS: 6913-92-4 Molecular Formula: C11H13N Molecular Weight (g/mol): 159.232 MDL Number: MFCD00012324 InChI Key: LRFHKHHUKGZIGE-UHFFFAOYSA-N Synonym: 1-benzyl-3-pyrroline,1-benzyl-2,5-dihydro-1h-pyrrole,n-benzylpyrroline,n-benzyl-3-pyrroline,1h-pyrrole, 2,5-dihydro-1-phenylmethyl,maleimide-related compound 16,l-benzyl-3-pyrroline,n-benzyl 3-pyrroline,1-benzylpyrroline PubChem CID: 561506 IUPAC Name: 1-benzyl-2,5-dihydropyrrole SMILES: C1C=CCN1CC2=CC=CC=C2

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PubChem CID	561506
CAS	6913-92-4
Molecular Weight (g/mol)	159.232
MDL Number	MFCD00012324
SMILES	C1C=CCN1CC2=CC=CC=C2
Synonym	1-benzyl-3-pyrroline,1-benzyl-2,5-dihydro-1h-pyrrole,n-benzylpyrroline,n-benzyl-3-pyrroline,1h-pyrrole, 2,5-dihydro-1-phenylmethyl,maleimide-related compound 16,l-benzyl-3-pyrroline,n-benzyl 3-pyrroline,1-benzylpyrroline
IUPAC Name	1-benzyl-2,5-dihydropyrrole
InChI Key	LRFHKHHUKGZIGE-UHFFFAOYSA-N
Molecular Formula	C11H13N

3-[(6-Methylpyrazin-2-yl)oxy]benzylamine, 97%, Thermo Scientific™

CAS: 941716-89-8 Molecular Formula: C12H13N3O Molecular Weight (g/mol): 215.256 MDL Number: MFCD09817526 InChI Key: PJVRJIDLKXDROC-UHFFFAOYSA-N Synonym: 3-6-methylpyrazin-2-yl oxy benzylamine,3-6-methylpyrazin-2-yl oxy phenyl methanamine,1-3-6-methylpyrazin-2-yl oxy phenyl methanamine,3-6-methylpyrazin-2-yloxy phenyl methylamine,3-6-methylpyrazin-2-yl oxy phenyl methylamine PubChem CID: 24229681 IUPAC Name: [3-(6-methylpyrazin-2-yl)oxyphenyl]methanamine SMILES: CC1=CN=CC(=N1)OC2=CC=CC(=C2)CN

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PubChem CID	24229681
CAS	941716-89-8
Molecular Weight (g/mol)	215.256
MDL Number	MFCD09817526
SMILES	CC1=CN=CC(=N1)OC2=CC=CC(=C2)CN
Synonym	3-6-methylpyrazin-2-yl oxy benzylamine,3-6-methylpyrazin-2-yl oxy phenyl methanamine,1-3-6-methylpyrazin-2-yl oxy phenyl methanamine,3-6-methylpyrazin-2-yloxy phenyl methylamine,3-6-methylpyrazin-2-yl oxy phenyl methylamine
IUPAC Name	[3-(6-methylpyrazin-2-yl)oxyphenyl]methanamine
InChI Key	PJVRJIDLKXDROC-UHFFFAOYSA-N
Molecular Formula	C12H13N3O

3-(1H-Pyrazol-1-ylmethyl)benzylamine, 97%, Thermo Scientific™

CAS: 562803-76-3 Molecular Formula: C11H13N3 Molecular Weight (g/mol): 187.246 MDL Number: MFCD08572164 InChI Key: XKFHMAZBNKKNMT-UHFFFAOYSA-N Synonym: 3-1h-pyrazol-1-ylmethyl benzylamine,3-1h-pyrazol-1-ylmethyl phenyl methanamine,1-3-aminomethyl benzyl-1h-pyrazole,3-pyrazol-1-ylmethyl phenyl methanamine,1-3-pyrazol-1-ylmethyl phenyl methanamine,3-pyrazolylmethyl phenyl methylamine,3-1h-pyrazol-1-yl methyl benzylamine,3-1h-pyrazole-1-ylmethyl benzenemethanamine,benzenemethanamine,3-1h-pyrazol-1-ylmethyl,3-1h-pyrazol-1-yl methyl phenyl methanamine PubChem CID: 16640564 IUPAC Name: [3-(pyrazol-1-ylmethyl)phenyl]methanamine SMILES: C1=CC(=CC(=C1)CN)CN2C=CC=N2

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PubChem CID	16640564
CAS	562803-76-3
Molecular Weight (g/mol)	187.246
MDL Number	MFCD08572164
SMILES	C1=CC(=CC(=C1)CN)CN2C=CC=N2
Synonym	3-1h-pyrazol-1-ylmethyl benzylamine,3-1h-pyrazol-1-ylmethyl phenyl methanamine,1-3-aminomethyl benzyl-1h-pyrazole,3-pyrazol-1-ylmethyl phenyl methanamine,1-3-pyrazol-1-ylmethyl phenyl methanamine,3-pyrazolylmethyl phenyl methylamine,3-1h-pyrazol-1-yl methyl benzylamine,3-1h-pyrazole-1-ylmethyl benzenemethanamine,benzenemethanamine,3-1h-pyrazol-1-ylmethyl,3-1h-pyrazol-1-yl methyl phenyl methanamine
IUPAC Name	[3-(pyrazol-1-ylmethyl)phenyl]methanamine
InChI Key	XKFHMAZBNKKNMT-UHFFFAOYSA-N
Molecular Formula	C11H13N3

3-[(4-Methylpiperazin-1-yl)methyl]benzaldehyde, ≥95%, Thermo Scientific™

CAS: 859850-88-7 Molecular Formula: C13H18N2O Molecular Weight (g/mol): 218.3 MDL Number: MFCD08271925 InChI Key: KKYYCUZQPBFXKD-UHFFFAOYSA-N Synonym: 3-4-methylpiperazin-1-yl methyl benzaldehyde,benzaldehyde,3-4-methyl-1-piperazinyl methyl,3-4-methylpiperazinyl methyl benzaldehyde,3-4-methyl-1-piperazinyl methyl benzaldehyde PubChem CID: 18525774 IUPAC Name: 3-[(4-methylpiperazin-1-yl)methyl]benzaldehyde SMILES: CN1CCN(CC1)CC2=CC=CC(=C2)C=O

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PubChem CID	18525774
CAS	859850-88-7
Molecular Weight (g/mol)	218.3
MDL Number	MFCD08271925
SMILES	CN1CCN(CC1)CC2=CC=CC(=C2)C=O
Synonym	3-4-methylpiperazin-1-yl methyl benzaldehyde,benzaldehyde,3-4-methyl-1-piperazinyl methyl,3-4-methylpiperazinyl methyl benzaldehyde,3-4-methyl-1-piperazinyl methyl benzaldehyde
IUPAC Name	3-[(4-methylpiperazin-1-yl)methyl]benzaldehyde
InChI Key	KKYYCUZQPBFXKD-UHFFFAOYSA-N
Molecular Formula	C13H18N2O

100

4-(1H-Imidazol-1-ylmethyl)-N-methylbenzylamine 1.5 oxalate 0.5 hydrate, 97%, Thermo Scientific™

CAS: 910036-84-9 Molecular Formula: C14H17N3O4 Molecular Weight (g/mol): 291.307 MDL Number: MFCD09064952 InChI Key: AIQAEMDKVTYASZ-UHFFFAOYSA-N Synonym: oxalic acid; 4-imidazol-1-ylmethyl phenyl methyl methyl amine,oxalic acid-1-4-1h-imidazol-1-yl methyl phenyl-n-methylmethanamine 1/1 PubChem CID: 24229491 IUPAC Name: 1-[4-(imidazol-1-ylmethyl)phenyl]-N-methylmethanamine;oxalic acid SMILES: CNCC1=CC=C(C=C1)CN2C=CN=C2.C(=O)(C(=O)O)O

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PubChem CID	24229491
CAS	910036-84-9
Molecular Weight (g/mol)	291.307
MDL Number	MFCD09064952
SMILES	CNCC1=CC=C(C=C1)CN2C=CN=C2.C(=O)(C(=O)O)O
Synonym	oxalic acid; 4-imidazol-1-ylmethyl phenyl methyl methyl amine,oxalic acid-1-4-1h-imidazol-1-yl methyl phenyl-n-methylmethanamine 1/1
IUPAC Name	1-[4-(imidazol-1-ylmethyl)phenyl]-N-methylmethanamine;oxalic acid
InChI Key	AIQAEMDKVTYASZ-UHFFFAOYSA-N
Molecular Formula	C14H17N3O4

101

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3-Fluorobenzylamine, 97%

CAS: 100-82-3 Molecular Formula: C₇H₈FN Molecular Weight (g/mol): 125.15 MDL Number: MFCD00008113 InChI Key: QVSVMNXRLWSNGS-UHFFFAOYSA-N Synonym: 3-fluorobenzylamine,3-fluorophenyl methanamine,m-fluorobenzylamine,benzenemethanamine, 3-fluoro,1-3-fluorophenyl methanamine,3-fluoro-benzylamine,benzylamine, m-fluoro,3-fluorophenyl methylamine,m-fluorobenzyl amine,3-fluorobenzyl amine PubChem CID: 66853 IUPAC Name: (3-fluorophenyl)methanamine SMILES: C1=CC(=CC(=C1)F)CN

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PubChem CID	66853
CAS	100-82-3
Molecular Weight (g/mol)	125.15
MDL Number	MFCD00008113
SMILES	C1=CC(=CC(=C1)F)CN
Synonym	3-fluorobenzylamine,3-fluorophenyl methanamine,m-fluorobenzylamine,benzenemethanamine, 3-fluoro,1-3-fluorophenyl methanamine,3-fluoro-benzylamine,benzylamine, m-fluoro,3-fluorophenyl methylamine,m-fluorobenzyl amine,3-fluorobenzyl amine
IUPAC Name	(3-fluorophenyl)methanamine
InChI Key	QVSVMNXRLWSNGS-UHFFFAOYSA-N
Molecular Formula	C₇H₈FN

102

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3-Nitrobenzylamine hydrochloride, 97%

CAS: 26177-43-5 Molecular Formula: C₇H₈N₂O₂·HCl Molecular Weight (g/mol): 188.62 MDL Number: MFCD00012858 InChI Key: DLZXLCHQWOZGSE-UHFFFAOYSA-N Synonym: 3-nitrobenzylamine hydrochloride,3-nitrophenyl methanamine hydrochloride,3-nitrobenzylamine hcl,3-nitrobenzylammonium hydrochloride,benzenemethanamine, 3-nitro-, monohydrochloride,1-3-nitrophenyl methanamine hydrochloride,pubchem7485,chembl13978,m-nitrobenzylamine hydrochloride,3-nitrobenzyl amine hydrochloride PubChem CID: 2724030 IUPAC Name: (3-nitrophenyl)methanamine;hydrochloride SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])CN.Cl

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Specifications

PubChem CID	2724030
CAS	26177-43-5
Molecular Weight (g/mol)	188.62
MDL Number	MFCD00012858
SMILES	C1=CC(=CC(=C1)[N+](=O)[O-])CN.Cl
Synonym	3-nitrobenzylamine hydrochloride,3-nitrophenyl methanamine hydrochloride,3-nitrobenzylamine hcl,3-nitrobenzylammonium hydrochloride,benzenemethanamine, 3-nitro-, monohydrochloride,1-3-nitrophenyl methanamine hydrochloride,pubchem7485,chembl13978,m-nitrobenzylamine hydrochloride,3-nitrobenzyl amine hydrochloride
IUPAC Name	(3-nitrophenyl)methanamine;hydrochloride
InChI Key	DLZXLCHQWOZGSE-UHFFFAOYSA-N
Molecular Formula	C₇H₈N₂O₂·HCl

103

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2,5-Dichlorobenzylamine, 97%

CAS: 10541-69-2 Molecular Formula: C7H7Cl2N Molecular Weight (g/mol): 176.04 MDL Number: MFCD00052391 InChI Key: AKGJLIXNRPNPCH-UHFFFAOYSA-N Synonym: 2,5-dichlorobenzylamine,2,5-dichlorophenyl methanamine,benzenemethanamine, 2,5-dichloro,2,5-dichloro-benzylamine,1-2,5-dichlorophenyl methanamine,2,5-dichlorophenyl methylamine,2,5-dichlorobenzylam,acmc-1bxya,rarechem al bw 0384,2,5-dichlorobenzyl amine PubChem CID: 457600 IUPAC Name: (2,5-dichlorophenyl)methanamine SMILES: C1=CC(=C(C=C1Cl)CN)Cl

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Specifications

PubChem CID	457600
CAS	10541-69-2
Molecular Weight (g/mol)	176.04
MDL Number	MFCD00052391
SMILES	C1=CC(=C(C=C1Cl)CN)Cl
Synonym	2,5-dichlorobenzylamine,2,5-dichlorophenyl methanamine,benzenemethanamine, 2,5-dichloro,2,5-dichloro-benzylamine,1-2,5-dichlorophenyl methanamine,2,5-dichlorophenyl methylamine,2,5-dichlorobenzylam,acmc-1bxya,rarechem al bw 0384,2,5-dichlorobenzyl amine
IUPAC Name	(2,5-dichlorophenyl)methanamine
InChI Key	AKGJLIXNRPNPCH-UHFFFAOYSA-N
Molecular Formula	C7H7Cl2N

104

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2-Bromobenzylamine, 96%

CAS: 3959-05-5 Molecular Formula: C7H8BrN Molecular Weight (g/mol): 186.05 MDL Number: MFCD00025572 InChI Key: NOYASZMZIBFFNZ-UHFFFAOYSA-N Synonym: 2-bromobenzylamine,2-bromophenyl methanamine,o-bromobenzylamine,2-bromophenyl methylamine,1-2-bromophenyl methanamine,2-brobenzylamine,2-bromo-benzylamine,pubchem20398,acmc-1ct06,benzenemethanamine, 2-bromo PubChem CID: 334072 IUPAC Name: (2-bromophenyl)methanamine SMILES: C1=CC=C(C(=C1)CN)Br

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PubChem CID	334072
CAS	3959-05-5
Molecular Weight (g/mol)	186.05
MDL Number	MFCD00025572
SMILES	C1=CC=C(C(=C1)CN)Br
Synonym	2-bromobenzylamine,2-bromophenyl methanamine,o-bromobenzylamine,2-bromophenyl methylamine,1-2-bromophenyl methanamine,2-brobenzylamine,2-bromo-benzylamine,pubchem20398,acmc-1ct06,benzenemethanamine, 2-bromo
IUPAC Name	(2-bromophenyl)methanamine
InChI Key	NOYASZMZIBFFNZ-UHFFFAOYSA-N
Molecular Formula	C7H8BrN

105

3-(Morpholin-4-ylmethyl)benzoic acid hydrochloride hydrate, 97%, Thermo Scientific™

CAS: 137605-80-2 Molecular Formula: C12H16ClNO3 Molecular Weight (g/mol): 257.71 MDL Number: MFCD09064949 InChI Key: UOMMCPQFAXOMMO-UHFFFAOYSA-N Synonym: 3-morpholin-4-ylmethyl benzoic acid hydrochloride,3-morpholinomethyl benzoic acid hydrochloride,3-morpholin-4-ylmethyl benzoic acid, chloride,3-morpholin-4-ylmethyl benzoic acid,hydrochloride,3-morpholin-4-yl methyl benzoic acid hydrochloride,3-morpholin-4-yl methyl benzoic acid-hydrogen chloride 1/1 PubChem CID: 24229486 IUPAC Name: 3-(morpholin-4-ylmethyl)benzoic acid;hydrochloride SMILES: Cl.OC(=O)C1=CC(CN2CCOCC2)=CC=C1

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Specifications

PubChem CID	24229486
CAS	137605-80-2
Molecular Weight (g/mol)	257.71
MDL Number	MFCD09064949
SMILES	Cl.OC(=O)C1=CC(CN2CCOCC2)=CC=C1
Synonym	3-morpholin-4-ylmethyl benzoic acid hydrochloride,3-morpholinomethyl benzoic acid hydrochloride,3-morpholin-4-ylmethyl benzoic acid, chloride,3-morpholin-4-ylmethyl benzoic acid,hydrochloride,3-morpholin-4-yl methyl benzoic acid hydrochloride,3-morpholin-4-yl methyl benzoic acid-hydrogen chloride 1/1
IUPAC Name	3-(morpholin-4-ylmethyl)benzoic acid;hydrochloride
InChI Key	UOMMCPQFAXOMMO-UHFFFAOYSA-N
Molecular Formula	C12H16ClNO3

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