Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.

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3,076 – 3,090 of 57,266 results

3,076

3-Methoxybenzylamine, 97%

CAS: 5071-96-5 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.18 MDL Number: MFCD00008115 InChI Key: GRRIMVWABNHKBX-UHFFFAOYSA-N Synonym: 3-methoxybenzylamine,m-methoxybenzylamine,3-methoxyphenyl methanamine,1-3-methoxyphenyl methanamine,benzenemethanamine, 3-methoxy,3-methoxyphenyl methylamine,benzylamine, m-methoxy,methoxybenzylamine, 3,benzenemethanamine, 3-methoxy-9ci,sz4 PubChem CID: 21156 IUPAC Name: (3-methoxyphenyl)methanamine SMILES: COC1=CC=CC(CN)=C1

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Specifications

PubChem CID	21156
CAS	5071-96-5
Molecular Weight (g/mol)	137.18
MDL Number	MFCD00008115
SMILES	COC1=CC=CC(CN)=C1
Synonym	3-methoxybenzylamine,m-methoxybenzylamine,3-methoxyphenyl methanamine,1-3-methoxyphenyl methanamine,benzenemethanamine, 3-methoxy,3-methoxyphenyl methylamine,benzylamine, m-methoxy,methoxybenzylamine, 3,benzenemethanamine, 3-methoxy-9ci,sz4
IUPAC Name	(3-methoxyphenyl)methanamine
InChI Key	GRRIMVWABNHKBX-UHFFFAOYSA-N
Molecular Formula	C8H11NO

3,077

4-Chlorobenzylamine, 97+%

CAS: 104-86-9 Molecular Formula: C7H8ClN Molecular Weight (g/mol): 141.598 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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Specifications

PubChem CID	66036
CAS	104-86-9
Molecular Weight (g/mol)	141.598
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

3,078

1-(3-Fluorobenzyl)piperazine, 97%

CAS: 55513-19-4 Molecular Formula: C11H15FN2 Molecular Weight (g/mol): 194.253 MDL Number: MFCD02242870 InChI Key: ITHBJSRWFNLKIH-UHFFFAOYSA-N Synonym: 1-3-fluorobenzyl piperazine,1-3-fluorophenyl methyl piperazine,1-3-fluoro-benzyl-piperazine,3-fluorophenyl methyl piperazine,1-3-fluorobenz-yl piperazine,piperazine, 1-3-fluorophenyl methyl,1-3-fluorophenyl methyl piperazine trifluoroacetate PubChem CID: 903813 IUPAC Name: 1-[(3-fluorophenyl)methyl]piperazine SMILES: C1CN(CCN1)CC2=CC(=CC=C2)F

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Specifications

PubChem CID	903813
CAS	55513-19-4
Molecular Weight (g/mol)	194.253
MDL Number	MFCD02242870
SMILES	C1CN(CCN1)CC2=CC(=CC=C2)F
Synonym	1-3-fluorobenzyl piperazine,1-3-fluorophenyl methyl piperazine,1-3-fluoro-benzyl-piperazine,3-fluorophenyl methyl piperazine,1-3-fluorobenz-yl piperazine,piperazine, 1-3-fluorophenyl methyl,1-3-fluorophenyl methyl piperazine trifluoroacetate
IUPAC Name	1-[(3-fluorophenyl)methyl]piperazine
InChI Key	ITHBJSRWFNLKIH-UHFFFAOYSA-N
Molecular Formula	C11H15FN2

3,079

N-Ethylbenzylamine, 95%

CAS: 14321-27-8 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00009031 InChI Key: HVAAHUDGWQAAOJ-UHFFFAOYSA-N Synonym: n-ethylbenzylamine,benzenemethanamine, n-ethyl,ethylbenzylamine,n-benzylethylamine,benzyl ethyl amine,benzylamine, n-ethyl,benzylethylamine,unii-mm8324ke8v,n-benzyl-n-ethylamine,benzyl-ethyl-amine PubChem CID: 84352 IUPAC Name: N-benzylethanamine SMILES: CCNCC1=CC=CC=C1

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Specifications

PubChem CID	84352
CAS	14321-27-8
Molecular Weight (g/mol)	135.21
MDL Number	MFCD00009031
SMILES	CCNCC1=CC=CC=C1
Synonym	n-ethylbenzylamine,benzenemethanamine, n-ethyl,ethylbenzylamine,n-benzylethylamine,benzyl ethyl amine,benzylamine, n-ethyl,benzylethylamine,unii-mm8324ke8v,n-benzyl-n-ethylamine,benzyl-ethyl-amine
IUPAC Name	N-benzylethanamine
InChI Key	HVAAHUDGWQAAOJ-UHFFFAOYSA-N
Molecular Formula	C9H13N

3,080

4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]morpholine, 97%, Thermo Scientific™

CAS: 364794-79-6 Molecular Formula: C17H26BNO3 Molecular Weight (g/mol): 303.21 MDL Number: MFCD04974052 InChI Key: JOIXYIWXEYXHHG-UHFFFAOYSA-N Synonym: 4-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzyl morpholine,4-morpholinomethyl phenylboronic acid pinacol ester,4-4-morpholinomethyl phenylboronic acid pinacol ester,4-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methyl morpholine,4-methylmorpholino phenylboronic acid, pinacol ester,4-4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methyl morpholine,4-morpholinomethyl phenylboronic acid, pinacol ester,4,4,5,5-tetramethyl-2-4-morpholin-4-ylmethyl phenyl-1,3,2-dioxaborolane PubChem CID: 2795502 IUPAC Name: 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(CN2CCOCC2)C=C1

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Specifications

PubChem CID	2795502
CAS	364794-79-6
Molecular Weight (g/mol)	303.21
MDL Number	MFCD04974052
SMILES	CC1(C)OB(OC1(C)C)C1=CC=C(CN2CCOCC2)C=C1
Synonym	4-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzyl morpholine,4-morpholinomethyl phenylboronic acid pinacol ester,4-4-morpholinomethyl phenylboronic acid pinacol ester,4-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methyl morpholine,4-methylmorpholino phenylboronic acid, pinacol ester,4-4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methyl morpholine,4-morpholinomethyl phenylboronic acid, pinacol ester,4,4,5,5-tetramethyl-2-4-morpholin-4-ylmethyl phenyl-1,3,2-dioxaborolane
IUPAC Name	4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine
InChI Key	JOIXYIWXEYXHHG-UHFFFAOYSA-N
Molecular Formula	C17H26BNO3

3,081

4-Iodobenzylamine, 97%

CAS: 39959-59-6 Molecular Formula: C7H8IN Molecular Weight (g/mol): 233.052 MDL Number: MFCD00047933 InChI Key: KCGZGJOBKAXVSU-UHFFFAOYSA-N Synonym: 4-iodophenyl methanamine,4-iodobenzylamine,4-iodo-benzylamine,4-iodobenzyl amine,benzenemethanamine, 4-iodo,1-4-iodophenyl methanamine,4-iodophenyl methylamine,4-iodobenzylamine, hydrochloride salt,acmc-20a5sy,p-iodobenzylamine PubChem CID: 2737533 IUPAC Name: (4-iodophenyl)methanamine SMILES: C1=CC(=CC=C1CN)I

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Specifications

PubChem CID	2737533
CAS	39959-59-6
Molecular Weight (g/mol)	233.052
MDL Number	MFCD00047933
SMILES	C1=CC(=CC=C1CN)I
Synonym	4-iodophenyl methanamine,4-iodobenzylamine,4-iodo-benzylamine,4-iodobenzyl amine,benzenemethanamine, 4-iodo,1-4-iodophenyl methanamine,4-iodophenyl methylamine,4-iodobenzylamine, hydrochloride salt,acmc-20a5sy,p-iodobenzylamine
IUPAC Name	(4-iodophenyl)methanamine
InChI Key	KCGZGJOBKAXVSU-UHFFFAOYSA-N
Molecular Formula	C7H8IN

3,082

Benzyltrimethylammonium hydroxide, 40% w/w in methanol

CAS: 100-85-6 Molecular Formula: C10H17NO Molecular Weight (g/mol): 167.252 MDL Number: MFCD00008281 InChI Key: NDKBVBUGCNGSJJ-UHFFFAOYSA-M Synonym: benzyltrimethylammonium hydroxide,triton b,n,n,n-trimethyl-1-phenylmethanaminium hydroxide,trimethylbenzylammonium hydroxide,benzyl trimethylammonium hydroxide,benzyl trimethyl ammonium hydroxide,trimethyl benzylammonium hydroxide,sumquat 2311,benzyltrimetylammonium hydroxide,n,n,n-trimethylbenzenemethanaminium hydroxide PubChem CID: 66854 IUPAC Name: benzyl(trimethyl)azanium;hydroxide SMILES: C[N+](C)(C)CC1=CC=CC=C1.[OH-]

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Specifications

PubChem CID	66854
CAS	100-85-6
Molecular Weight (g/mol)	167.252
MDL Number	MFCD00008281
SMILES	C[N+](C)(C)CC1=CC=CC=C1.[OH-]
Synonym	benzyltrimethylammonium hydroxide,triton b,n,n,n-trimethyl-1-phenylmethanaminium hydroxide,trimethylbenzylammonium hydroxide,benzyl trimethylammonium hydroxide,benzyl trimethyl ammonium hydroxide,trimethyl benzylammonium hydroxide,sumquat 2311,benzyltrimetylammonium hydroxide,n,n,n-trimethylbenzenemethanaminium hydroxide
IUPAC Name	benzyl(trimethyl)azanium;hydroxide
InChI Key	NDKBVBUGCNGSJJ-UHFFFAOYSA-M
Molecular Formula	C10H17NO

3,083

{2-[(4-Methylpiperazin-1-yl)methyl]phenyl}methylamine, 97%, Thermo Scientific™

CAS: 879896-50-1 Molecular Formula: C13H21N3 Molecular Weight (g/mol): 219.332 MDL Number: MFCD06797802 InChI Key: OKGWICVOLZFMPE-UHFFFAOYSA-N Synonym: 2-4-methylpiperazin-1-ylmethyl benzylamine,1-2-4-methylpiperazin-1-yl methyl phenyl methanamine,2-4-methylpiperazin-1-yl methyl phenyl methanamine,2-4-methylpiperazinyl methyl phenyl methylamine,2-4-methyl-1-piperazinyl methyl-benzenemethanamine,2-4-methylpiperazin-1-yl methyl phenyl methylamine,benzenemethanamine,2-4-methyl-1-piperazinyl methyl PubChem CID: 16228064 IUPAC Name: [2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine SMILES: CN1CCN(CC1)CC2=CC=CC=C2CN

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Specifications

PubChem CID	16228064
CAS	879896-50-1
Molecular Weight (g/mol)	219.332
MDL Number	MFCD06797802
SMILES	CN1CCN(CC1)CC2=CC=CC=C2CN
Synonym	2-4-methylpiperazin-1-ylmethyl benzylamine,1-2-4-methylpiperazin-1-yl methyl phenyl methanamine,2-4-methylpiperazin-1-yl methyl phenyl methanamine,2-4-methylpiperazinyl methyl phenyl methylamine,2-4-methyl-1-piperazinyl methyl-benzenemethanamine,2-4-methylpiperazin-1-yl methyl phenyl methylamine,benzenemethanamine,2-4-methyl-1-piperazinyl methyl
IUPAC Name	[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine
InChI Key	OKGWICVOLZFMPE-UHFFFAOYSA-N
Molecular Formula	C13H21N3

3,084

N-Methyl-3-(1-methyl-1H-pyrazol-3-yl)benzylamine, 90%, Thermo Scientific™

CAS: 910037-12-6 Molecular Formula: C12H15N3 Molecular Weight (g/mol): 201.273 MDL Number: MFCD09065011 InChI Key: QTPPVJGJXALONT-UHFFFAOYSA-N Synonym: n-methyl-3-1-methyl-1h-pyrazol-3-yl benzylamine,methyl 3-1-methylpyrazol-3-yl phenyl methyl amine,n-methyl-1-3-1-methyl-1h-pyrazol-3-yl phenyl methanamine PubChem CID: 24229634 IUPAC Name: N-methyl-1-[3-(1-methylpyrazol-3-yl)phenyl]methanamine SMILES: CNCC1=CC=CC(=C1)C2=NN(C=C2)C

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Specifications

PubChem CID	24229634
CAS	910037-12-6
Molecular Weight (g/mol)	201.273
MDL Number	MFCD09065011
SMILES	CNCC1=CC=CC(=C1)C2=NN(C=C2)C
Synonym	n-methyl-3-1-methyl-1h-pyrazol-3-yl benzylamine,methyl 3-1-methylpyrazol-3-yl phenyl methyl amine,n-methyl-1-3-1-methyl-1h-pyrazol-3-yl phenyl methanamine
IUPAC Name	N-methyl-1-[3-(1-methylpyrazol-3-yl)phenyl]methanamine
InChI Key	QTPPVJGJXALONT-UHFFFAOYSA-N
Molecular Formula	C12H15N3

3,085

N-Methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)benzylamine, 95%, Thermo Scientific™

CAS: 921938-59-2 Molecular Formula: C11H13N3O Molecular Weight (g/mol): 203.245 MDL Number: MFCD09817473 InChI Key: FWMVARCHFJQGJP-UHFFFAOYSA-N Synonym: n-methyl-3-3-methyl-1,2,4-oxadiazol-5-yl benzylamine,methyl 3-3-methyl-1,2,4-oxadiazol-5-yl phenyl methyl amine,n-methyl-1-3-3-methyl-1,2,4-oxadiazol-5-yl phenyl methanamine,3-methyl-5-3-methylamino methyl phenyl-1,2,4-oxadiazole,methyl 3-3-methyl 1,2,4-oxadiazol-5-yl phenyl methyl amine PubChem CID: 24229501 IUPAC Name: N-methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine SMILES: CC1=NOC(=N1)C2=CC(=CC=C2)CNC

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Specifications

PubChem CID	24229501
CAS	921938-59-2
Molecular Weight (g/mol)	203.245
MDL Number	MFCD09817473
SMILES	CC1=NOC(=N1)C2=CC(=CC=C2)CNC
Synonym	n-methyl-3-3-methyl-1,2,4-oxadiazol-5-yl benzylamine,methyl 3-3-methyl-1,2,4-oxadiazol-5-yl phenyl methyl amine,n-methyl-1-3-3-methyl-1,2,4-oxadiazol-5-yl phenyl methanamine,3-methyl-5-3-methylamino methyl phenyl-1,2,4-oxadiazole,methyl 3-3-methyl 1,2,4-oxadiazol-5-yl phenyl methyl amine
IUPAC Name	N-methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
InChI Key	FWMVARCHFJQGJP-UHFFFAOYSA-N
Molecular Formula	C11H13N3O

3,086

4-Fluorobenzylamine, 97%

CAS: 140-75-0 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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Specifications

PubChem CID	67326
CAS	140-75-0
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

3,087

4-Aminobenzylamine, 98%

CAS: 4403-71-8 Molecular Formula: C₇H₁₀N₂ Molecular Weight (g/mol): 122.17 MDL Number: MFCD00075513 InChI Key: BFWYZZPDZZGSLJ-UHFFFAOYSA-N Synonym: 4-aminobenzylamine,4-aminomethyl aniline,p-aminobenzylamine,benzenemethanamine, 4-amino,4-aminomethyl-phenylamine,4-aminomethyl phenylamine,4-aminobenzyl amine dihydrochloride,4-amonobenzylae,p-aminobenzylamin,4-amino benzylamine PubChem CID: 427814 IUPAC Name: 4-(aminomethyl)aniline SMILES: C1=CC(=CC=C1CN)N

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Specifications

PubChem CID	427814
CAS	4403-71-8
Molecular Weight (g/mol)	122.17
MDL Number	MFCD00075513
SMILES	C1=CC(=CC=C1CN)N
Synonym	4-aminobenzylamine,4-aminomethyl aniline,p-aminobenzylamine,benzenemethanamine, 4-amino,4-aminomethyl-phenylamine,4-aminomethyl phenylamine,4-aminobenzyl amine dihydrochloride,4-amonobenzylae,p-aminobenzylamin,4-amino benzylamine
IUPAC Name	4-(aminomethyl)aniline
InChI Key	BFWYZZPDZZGSLJ-UHFFFAOYSA-N
Molecular Formula	C₇H₁₀N₂

3,088

4-(Morpholinomethyl)benzoic acid, Thermo Scientific™

CAS: 62642-62-0 Molecular Formula: C12H15NO3 Molecular Weight (g/mol): 221.256 InChI Key: QYBXZYYECZFQRX-UHFFFAOYSA-N Synonym: 4-morpholinomethyl benzoic acid,4-morpholin-4-ylmethyl benzoic acid,4-morpholin-4-ylmethyl-benzoic acid,4-4-morpholinemethyl benzoic acid,4-4-morpholinylmethyl benzoic acid,benzoic acid, 4-4-morpholinylmethyl,timtec-bb sbb011465,cbmicro_000050,acmc-1b2v0,4-morpholinomethylbenzoic acid PubChem CID: 703507 IUPAC Name: 4-(morpholin-4-ylmethyl)benzoic acid SMILES: C1COCCN1CC2=CC=C(C=C2)C(=O)O

Pricing & Availability
Specifications

PubChem CID	703507
CAS	62642-62-0
Molecular Weight (g/mol)	221.256
SMILES	C1COCCN1CC2=CC=C(C=C2)C(=O)O
Synonym	4-morpholinomethyl benzoic acid,4-morpholin-4-ylmethyl benzoic acid,4-morpholin-4-ylmethyl-benzoic acid,4-4-morpholinemethyl benzoic acid,4-4-morpholinylmethyl benzoic acid,benzoic acid, 4-4-morpholinylmethyl,timtec-bb sbb011465,cbmicro_000050,acmc-1b2v0,4-morpholinomethylbenzoic acid
IUPAC Name	4-(morpholin-4-ylmethyl)benzoic acid
InChI Key	QYBXZYYECZFQRX-UHFFFAOYSA-N
Molecular Formula	C12H15NO3

3,089

[3-(Morpholinomethyl)phenyl]methanol, 97%, Thermo Scientific™

CAS: 91271-64-6 Molecular Formula: C12H17NO2 Molecular Weight (g/mol): 207.273 MDL Number: MFCD07772831 InChI Key: KFSCOCJCNMSXOK-UHFFFAOYSA-N Synonym: 3-morpholinomethyl phenyl methanol,3-morpholin-4-ylmethyl phenyl methanol,3-4-morpholinylmethyl benzenemethanol,3-morpholin-4-ylmethyl phenyl methan-1-ol PubChem CID: 7162057 IUPAC Name: [3-(morpholin-4-ylmethyl)phenyl]methanol SMILES: C1COCCN1CC2=CC(=CC=C2)CO

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Specifications

PubChem CID	7162057
CAS	91271-64-6
Molecular Weight (g/mol)	207.273
MDL Number	MFCD07772831
SMILES	C1COCCN1CC2=CC(=CC=C2)CO
Synonym	3-morpholinomethyl phenyl methanol,3-morpholin-4-ylmethyl phenyl methanol,3-4-morpholinylmethyl benzenemethanol,3-morpholin-4-ylmethyl phenyl methan-1-ol
IUPAC Name	[3-(morpholin-4-ylmethyl)phenyl]methanol
InChI Key	KFSCOCJCNMSXOK-UHFFFAOYSA-N
Molecular Formula	C12H17NO2

3,090

2-Fluorobenzylamine, 96%

CAS: 89-99-6 Molecular Formula: C₇H₈FN Molecular Weight (g/mol): 125.15 MDL Number: MFCD00008107 InChI Key: LRFWYBZWRQWZIM-UHFFFAOYSA-N Synonym: 2-fluorobenzylamine,2-fluorophenyl methanamine,benzenemethanamine, 2-fluoro,o-fluorobenzylamine,benzylamine, o-fluoro,1-2-fluorophenyl methanamine,2-fluoro-benzylamine,2-fluorobenzyl amine,2-fluorophenyl methylamine,o-fluorobenzyl amine PubChem CID: 66649 IUPAC Name: (2-fluorophenyl)methanamine SMILES: C1=CC=C(C(=C1)CN)F

Pricing & Availability
Specifications

PubChem CID	66649
CAS	89-99-6
Molecular Weight (g/mol)	125.15
MDL Number	MFCD00008107
SMILES	C1=CC=C(C(=C1)CN)F
Synonym	2-fluorobenzylamine,2-fluorophenyl methanamine,benzenemethanamine, 2-fluoro,o-fluorobenzylamine,benzylamine, o-fluoro,1-2-fluorophenyl methanamine,2-fluoro-benzylamine,2-fluorobenzyl amine,2-fluorophenyl methylamine,o-fluorobenzyl amine
IUPAC Name	(2-fluorophenyl)methanamine
InChI Key	LRFWYBZWRQWZIM-UHFFFAOYSA-N
Molecular Formula	C₇H₈FN

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