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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2,731 – 2,745 of 64,662 results

2,731

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Dibenzylamine, 98%

CAS: 103-49-1 Molecular Formula: C14H15N Molecular Weight (g/mol): 197.28 MDL Number: MFCD00004770 InChI Key: BWLUMTFWVZZZND-UHFFFAOYSA-N Synonym: dibenzylamine,benzenemethanamine, n-phenylmethyl,n-benzylbenzylamine,bibenzylamine,dibenzyl-amine,dibenzyl amine,bisbenzylamine,n,n-dibenzylamine,n-benzylaminomethyl benzene,unii-3g0yfx01c6 PubChem CID: 7656 SMILES: C(NCC1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	7656
CAS	103-49-1
Molecular Weight (g/mol)	197.28
MDL Number	MFCD00004770
SMILES	C(NCC1=CC=CC=C1)C1=CC=CC=C1
Synonym	dibenzylamine,benzenemethanamine, n-phenylmethyl,n-benzylbenzylamine,bibenzylamine,dibenzyl-amine,dibenzyl amine,bisbenzylamine,n,n-dibenzylamine,n-benzylaminomethyl benzene,unii-3g0yfx01c6
InChI Key	BWLUMTFWVZZZND-UHFFFAOYSA-N
Molecular Formula	C14H15N

2,732

1-(2-Thien-2-ylphenyl)methanamine hydrochloride, ≥95%, Thermo Scientific™

CAS: 863991-95-1 Molecular Formula: C11H12ClNS Molecular Weight (g/mol): 225.73 MDL Number: MFCD07772821 InChI Key: XLJIHGHEJAGJJC-UHFFFAOYSA-N Synonym: 1-2-thien-2-ylphenyl methanamine hydrochloride,1-2-thien-2-ylphenyl methylamine hydrochloride,2-thiophen-2-yl phenyl methanamine hydrochloride,1-2-thien-2-ylphenyl methanaminehydrochloride,1-2-thiophen-2-yl phenyl methanamine hydrochloride,c11h11ns.hcl,2-thiophen-2-yl-benzylamine hydrochloride,2-2-thienyl phenyl methylamine, chloride,2-thien-2-yl phenyl methylamine hydrochloride PubChem CID: 18525724 IUPAC Name: 1-[2-(thiophen-2-yl)phenyl]methanamine hydrochloride SMILES: Cl.NCC1=CC=CC=C1C1=CC=CS1

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Specifications

PubChem CID	18525724
CAS	863991-95-1
Molecular Weight (g/mol)	225.73
MDL Number	MFCD07772821
SMILES	Cl.NCC1=CC=CC=C1C1=CC=CS1
Synonym	1-2-thien-2-ylphenyl methanamine hydrochloride,1-2-thien-2-ylphenyl methylamine hydrochloride,2-thiophen-2-yl phenyl methanamine hydrochloride,1-2-thien-2-ylphenyl methanaminehydrochloride,1-2-thiophen-2-yl phenyl methanamine hydrochloride,c11h11ns.hcl,2-thiophen-2-yl-benzylamine hydrochloride,2-2-thienyl phenyl methylamine, chloride,2-thien-2-yl phenyl methylamine hydrochloride
IUPAC Name	1-[2-(thiophen-2-yl)phenyl]methanamine hydrochloride
InChI Key	XLJIHGHEJAGJJC-UHFFFAOYSA-N
Molecular Formula	C11H12ClNS

2,733

4-(1,2,3-Thiadiazol-4-yl)benzylamine hydrochloride, ≥95%, Thermo Scientific™

CAS: 175205-49-9 Molecular Formula: C9H10ClN3S Molecular Weight (g/mol): 227.71 MDL Number: MFCD02682075 InChI Key: WUUGGOQPXZDQNW-UHFFFAOYSA-N Synonym: 4-1,2,3-thiadiazol-4-yl benzylamine hydrochloride,4-1,2,3-thiadiazol-4-yl phenyl methanamine hydrochloride,1-4-1,2,3-thiadiazol-4-yl phenyl methanamine hydrochloride,4-thiadiazol-4-yl phenyl methanamine hydrochloride,benzenemethanamine,4-1,2,3-thiadiazol-4-yl,4-1,2,3-thiadiazol-4-yl phenyl methylamine, chloride,4-4-aminomethyl phenyl-1,2,3-thiadiazole hydrochloride PubChem CID: 2737287 IUPAC Name: [4-(thiadiazol-4-yl)phenyl]methanamine;hydrochloride SMILES: C1=CC(=CC=C1CN)C2=CSN=N2.Cl

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Specifications

PubChem CID	2737287
CAS	175205-49-9
Molecular Weight (g/mol)	227.71
MDL Number	MFCD02682075
SMILES	C1=CC(=CC=C1CN)C2=CSN=N2.Cl
Synonym	4-1,2,3-thiadiazol-4-yl benzylamine hydrochloride,4-1,2,3-thiadiazol-4-yl phenyl methanamine hydrochloride,1-4-1,2,3-thiadiazol-4-yl phenyl methanamine hydrochloride,4-thiadiazol-4-yl phenyl methanamine hydrochloride,benzenemethanamine,4-1,2,3-thiadiazol-4-yl,4-1,2,3-thiadiazol-4-yl phenyl methylamine, chloride,4-4-aminomethyl phenyl-1,2,3-thiadiazole hydrochloride
IUPAC Name	[4-(thiadiazol-4-yl)phenyl]methanamine;hydrochloride
InChI Key	WUUGGOQPXZDQNW-UHFFFAOYSA-N
Molecular Formula	C9H10ClN3S

2,734

2-(Morpholinomethyl)benzaldehyde 97%, Thermo Scientific™

CAS: 736991-21-2 Molecular Formula: C12H15NO2 Molecular Weight (g/mol): 205.26 MDL Number: MFCD07782412 InChI Key: YPZNTOVVELIJGI-UHFFFAOYSA-N Synonym: 2-morpholinomethyl benzaldehyde,2-morpholin-4-ylmethyl benzaldehyde,morpholinomethylbenzaldehyde,4-2-carboxaldehydebenzyl morpholine,2-morpholin-4-yl methyl benzaldehyde PubChem CID: 18525826 IUPAC Name: 2-[(morpholin-4-yl)methyl]benzaldehyde SMILES: O=CC1=CC=CC=C1CN1CCOCC1

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Specifications

PubChem CID	18525826
CAS	736991-21-2
Molecular Weight (g/mol)	205.26
MDL Number	MFCD07782412
SMILES	O=CC1=CC=CC=C1CN1CCOCC1
Synonym	2-morpholinomethyl benzaldehyde,2-morpholin-4-ylmethyl benzaldehyde,morpholinomethylbenzaldehyde,4-2-carboxaldehydebenzyl morpholine,2-morpholin-4-yl methyl benzaldehyde
IUPAC Name	2-[(morpholin-4-yl)methyl]benzaldehyde
InChI Key	YPZNTOVVELIJGI-UHFFFAOYSA-N
Molecular Formula	C12H15NO2

2,735

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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

2,736

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2,4-Dimethylbenzylamine, 98%

CAS: 94-98-4 Molecular Formula: C9H14N Molecular Weight (g/mol): 136.22 MDL Number: MFCD00025575 InChI Key: GBSUVYGVEQDZPG-UHFFFAOYSA-O Synonym: 2,4-dimethylbenzylamine,2,4-dimethylphenyl methanamine,benzenemethanamine, 2,4-dimethyl,benzylamine, 2,4-dimethyl,2,4-dimethylbenzenemethanamine,omega-amino-psi-cumene,1-2,4-dimethylphenyl methanamine,omega-amino-1,2,4-trimethylbenzene,rarechem al bw 0350,timtec-bb sbb005795 PubChem CID: 66761 IUPAC Name: (2,4-dimethylphenyl)methanamine SMILES: CC1=CC=C(C[NH3+])C(C)=C1

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Specifications

PubChem CID	66761
CAS	94-98-4
Molecular Weight (g/mol)	136.22
MDL Number	MFCD00025575
SMILES	CC1=CC=C(C[NH3+])C(C)=C1
Synonym	2,4-dimethylbenzylamine,2,4-dimethylphenyl methanamine,benzenemethanamine, 2,4-dimethyl,benzylamine, 2,4-dimethyl,2,4-dimethylbenzenemethanamine,omega-amino-psi-cumene,1-2,4-dimethylphenyl methanamine,omega-amino-1,2,4-trimethylbenzene,rarechem al bw 0350,timtec-bb sbb005795
IUPAC Name	(2,4-dimethylphenyl)methanamine
InChI Key	GBSUVYGVEQDZPG-UHFFFAOYSA-O
Molecular Formula	C9H14N

2,737

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3,4-Dimethoxy-N-methylbenzylamine, 97%, Thermo Scientific™

CAS: 63-64-9 Molecular Formula: C₁₀H₁₅NO₂ Molecular Weight (g/mol): 181.24 InChI Key: XQODFBIAQVJQHF-UHFFFAOYSA-N Synonym: 3,4-dimethoxybenzyl methylamine,n-methyl-3,4-dimethoxybenzylamine,1-3,4-dimethoxyphenyl-n-methylmethanamine,3,4-dimethoxyphenyl methyl methyl amine,3,4-dimethoxy-n-methylbenzylamine,3,4-dimethoxy-benzyl-methyl-amine,benzenemethanamine, 3,4-dimethoxy-n-methyl,1-3,4-dimethoxyphenyl-n-methyl-methanamine,3,4-dimethoxyphenyl methyl methylamine,3,4-dimethoxybenzyl-n-methylamine PubChem CID: 592161 IUPAC Name: 1-(3,4-dimethoxyphenyl)-N-methylmethanamine SMILES: CNCC1=CC(=C(C=C1)OC)OC

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Specifications

PubChem CID	592161
CAS	63-64-9
Molecular Weight (g/mol)	181.24
SMILES	CNCC1=CC(=C(C=C1)OC)OC
Synonym	3,4-dimethoxybenzyl methylamine,n-methyl-3,4-dimethoxybenzylamine,1-3,4-dimethoxyphenyl-n-methylmethanamine,3,4-dimethoxyphenyl methyl methyl amine,3,4-dimethoxy-n-methylbenzylamine,3,4-dimethoxy-benzyl-methyl-amine,benzenemethanamine, 3,4-dimethoxy-n-methyl,1-3,4-dimethoxyphenyl-n-methyl-methanamine,3,4-dimethoxyphenyl methyl methylamine,3,4-dimethoxybenzyl-n-methylamine
IUPAC Name	1-(3,4-dimethoxyphenyl)-N-methylmethanamine
InChI Key	XQODFBIAQVJQHF-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₅NO₂

2,738

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2-Bromobenzylamine, 98%

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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Specifications

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

2,739

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N-Benzylethanolamine, 96%

CAS: 104-63-2 Molecular Formula: C9H13NO Molecular Weight (g/mol): 151.21 MDL Number: MFCD00002840 InChI Key: XNIOWJUQPMKCIJ-UHFFFAOYSA-N Synonym: n-benzylethanolamine,2-benzylamino ethanol,benzylaminoethanol,benzylethanolamine,ethanol, 2-phenylmethyl amino,2-benzylamino ethan-1-ol,benzyl ethanolamine,n-benzyle ethanol amine,ethanol, 2-benzylamino,unii-48121ms9jm PubChem CID: 4348 IUPAC Name: 2-(benzylamino)ethanol SMILES: OCCNCC1=CC=CC=C1

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PubChem CID	4348
CAS	104-63-2
Molecular Weight (g/mol)	151.21
MDL Number	MFCD00002840
SMILES	OCCNCC1=CC=CC=C1
Synonym	n-benzylethanolamine,2-benzylamino ethanol,benzylaminoethanol,benzylethanolamine,ethanol, 2-phenylmethyl amino,2-benzylamino ethan-1-ol,benzyl ethanolamine,n-benzyle ethanol amine,ethanol, 2-benzylamino,unii-48121ms9jm
IUPAC Name	2-(benzylamino)ethanol
InChI Key	XNIOWJUQPMKCIJ-UHFFFAOYSA-N
Molecular Formula	C9H13NO

2,740

2-[3-(Dimethylamino)propoxy]-N-methylbenzylamine, ≥97%, Thermo Scientific™

CAS: 910037-06-8 Molecular Formula: C13H22N2O Molecular Weight (g/mol): 222.332 MDL Number: MFCD09064998 InChI Key: PSLNWMDOKBMVNV-UHFFFAOYSA-N Synonym: 2-3-dimethylamino propoxy-n-methylbenzylamine,dimethyl 3-2-methylamino methyl phenoxy propyl amine,2-3-dimethylamino propoxy phenyl methyl methyl amine,n,n-dimethyl-3-2-methylamino methyl phenoxy propan-1-amine,benzenemethanamine,2-3-dimethylamino propoxy-n-methyl PubChem CID: 24229613 IUPAC Name: N,N-dimethyl-3-[2-(methylaminomethyl)phenoxy]propan-1-amine SMILES: CNCC1=CC=CC=C1OCCCN(C)C

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Specifications

PubChem CID	24229613
CAS	910037-06-8
Molecular Weight (g/mol)	222.332
MDL Number	MFCD09064998
SMILES	CNCC1=CC=CC=C1OCCCN(C)C
Synonym	2-3-dimethylamino propoxy-n-methylbenzylamine,dimethyl 3-2-methylamino methyl phenoxy propyl amine,2-3-dimethylamino propoxy phenyl methyl methyl amine,n,n-dimethyl-3-2-methylamino methyl phenoxy propan-1-amine,benzenemethanamine,2-3-dimethylamino propoxy-n-methyl
IUPAC Name	N,N-dimethyl-3-[2-(methylaminomethyl)phenoxy]propan-1-amine
InChI Key	PSLNWMDOKBMVNV-UHFFFAOYSA-N
Molecular Formula	C13H22N2O

2,741

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3,4-Difluorobenzylamine, 95%, Thermo Scientific™

CAS: 72235-53-1 Molecular Formula: C₇H₇F₂N Molecular Weight (g/mol): 143.14 MDL Number: MFCD00010145 InChI Key: PHLZUDXEBCQHKM-UHFFFAOYSA-N PubChem CID: 123572 IUPAC Name: (3,4-difluorophenyl)methanamine SMILES: C1=CC(=C(C=C1CN)F)F

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Specifications

PubChem CID	123572
CAS	72235-53-1
Molecular Weight (g/mol)	143.14
MDL Number	MFCD00010145
SMILES	C1=CC(=C(C=C1CN)F)F
IUPAC Name	(3,4-difluorophenyl)methanamine
InChI Key	PHLZUDXEBCQHKM-UHFFFAOYSA-N
Molecular Formula	C₇H₇F₂N

2,742

N-Methyl-2-(1H-1,2,4-triazol-1-ylmethyl)benzylamine, 97%, Thermo Scientific™

CAS: 906352-64-5 Molecular Formula: C11H14N4 Molecular Weight (g/mol): 202.261 MDL Number: MFCD09025848 InChI Key: VHDVEBIJXKJALO-UHFFFAOYSA-N Synonym: n-methyl-2-1h-1,2,4-triazol-1-ylmethyl benzylamine,methyl 2-1,2,4-triazol-1-ylmethyl phenyl methyl amine,methyl 2-1,2,4-triazolylmethyl phenyl methyl amine,n-methyl-1-2-1h-1,2,4-triazol-1-yl methyl phenyl methanamine PubChem CID: 18525820 IUPAC Name: N-methyl-1-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanamine SMILES: CNCC1=CC=CC=C1CN2C=NC=N2

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Specifications

PubChem CID	18525820
CAS	906352-64-5
Molecular Weight (g/mol)	202.261
MDL Number	MFCD09025848
SMILES	CNCC1=CC=CC=C1CN2C=NC=N2
Synonym	n-methyl-2-1h-1,2,4-triazol-1-ylmethyl benzylamine,methyl 2-1,2,4-triazol-1-ylmethyl phenyl methyl amine,methyl 2-1,2,4-triazolylmethyl phenyl methyl amine,n-methyl-1-2-1h-1,2,4-triazol-1-yl methyl phenyl methanamine
IUPAC Name	N-methyl-1-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanamine
InChI Key	VHDVEBIJXKJALO-UHFFFAOYSA-N
Molecular Formula	C11H14N4

2,743

3-(Morpholin-4-ylmethyl)benzonitrile, 97%, Thermo Scientific™

CAS: 857283-91-1 Molecular Formula: C12H14N2O Molecular Weight (g/mol): 202.257 MDL Number: MFCD08060511 InChI Key: GSVNKQLSALKJHW-UHFFFAOYSA-N Synonym: 3-morpholin-4-ylmethyl benzonitrile,benzonitrile,3-4-morpholinylmethyl,3-morpholin-4-yl methyl benzonitrile,3-morpholinomethyl benzonitrile,3-morpholin-4-ylmethyl benzenecarbonitrile PubChem CID: 7164605 IUPAC Name: 3-(morpholin-4-ylmethyl)benzonitrile SMILES: C1COCCN1CC2=CC=CC(=C2)C#N

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Specifications

PubChem CID	7164605
CAS	857283-91-1
Molecular Weight (g/mol)	202.257
MDL Number	MFCD08060511
SMILES	C1COCCN1CC2=CC=CC(=C2)C#N
Synonym	3-morpholin-4-ylmethyl benzonitrile,benzonitrile,3-4-morpholinylmethyl,3-morpholin-4-yl methyl benzonitrile,3-morpholinomethyl benzonitrile,3-morpholin-4-ylmethyl benzenecarbonitrile
IUPAC Name	3-(morpholin-4-ylmethyl)benzonitrile
InChI Key	GSVNKQLSALKJHW-UHFFFAOYSA-N
Molecular Formula	C12H14N2O

2,744

4-(3-Bromothien-2-yl)-N-methylbenzylamine, 97%, Thermo Scientific™

CAS: 937796-02-6 Molecular Formula: C12H12BrNS Molecular Weight (g/mol): 282.199 MDL Number: MFCD09879974 InChI Key: JAQWWPQIUYWZIC-UHFFFAOYSA-N Synonym: 4-3-bromothien-2-yl-n-methylbenzylamine,4-3-bromothiophen-2-yl phenyl methyl methyl amine,1-4-3-bromothiophen-2-yl phenyl-n-methylmethanamine,4-3-bromothiophen-2-yl-n-methylbenzylamine PubChem CID: 24229757 IUPAC Name: 1-[4-(3-bromothiophen-2-yl)phenyl]-N-methylmethanamine SMILES: CNCC1=CC=C(C=C1)C2=C(C=CS2)Br

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Specifications

PubChem CID	24229757
CAS	937796-02-6
Molecular Weight (g/mol)	282.199
MDL Number	MFCD09879974
SMILES	CNCC1=CC=C(C=C1)C2=C(C=CS2)Br
Synonym	4-3-bromothien-2-yl-n-methylbenzylamine,4-3-bromothiophen-2-yl phenyl methyl methyl amine,1-4-3-bromothiophen-2-yl phenyl-n-methylmethanamine,4-3-bromothiophen-2-yl-n-methylbenzylamine
IUPAC Name	1-[4-(3-bromothiophen-2-yl)phenyl]-N-methylmethanamine
InChI Key	JAQWWPQIUYWZIC-UHFFFAOYSA-N
Molecular Formula	C12H12BrNS

2,745

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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

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