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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3,886 – 3,900 of 65,514 results

3,886

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2,2-Diphenylpropionitrile, 97%

CAS: 5558-67-8 Molecular Formula: C15H13N Molecular Weight (g/mol): 207.276 MDL Number: MFCD00001846 InChI Key: DPVHBXFSKLKYIQ-UHFFFAOYSA-N PubChem CID: 79677 IUPAC Name: 2,2-diphenylpropanenitrile SMILES: CC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2

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Specifications

PubChem CID	79677
CAS	5558-67-8
Molecular Weight (g/mol)	207.276
MDL Number	MFCD00001846
SMILES	CC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2
IUPAC Name	2,2-diphenylpropanenitrile
InChI Key	DPVHBXFSKLKYIQ-UHFFFAOYSA-N
Molecular Formula	C15H13N

3,887

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4-Fluoro-N-methylbenzylamine, 97%

CAS: 405-66-3 Molecular Formula: C8H10FN Molecular Weight (g/mol): 139.173 MDL Number: MFCD03839848 InChI Key: SZJIQLSCDIEJFC-UHFFFAOYSA-N Synonym: n-methyl-4-fluorobenzylamine,4-fluoro-n-methylbenzylamine,4-fluoro-benzyl-methyl-amine,1-4-fluorophenyl-n-methylmethanamine,n-4-fluorobenzyl-n-methylamine,4-fluoro-n-methyl benzylamine,4-fluorophenyl methyl methyl amine,benzenemethanamine, 4-fluoro-n-methyl,1-4-fluorophenyl-n-methyl-methanamine,acmc-1aek3 PubChem CID: 736860 IUPAC Name: 1-(4-fluorophenyl)-N-methylmethanamine SMILES: CNCC1=CC=C(C=C1)F

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Specifications

PubChem CID	736860
CAS	405-66-3
Molecular Weight (g/mol)	139.173
MDL Number	MFCD03839848
SMILES	CNCC1=CC=C(C=C1)F
Synonym	n-methyl-4-fluorobenzylamine,4-fluoro-n-methylbenzylamine,4-fluoro-benzyl-methyl-amine,1-4-fluorophenyl-n-methylmethanamine,n-4-fluorobenzyl-n-methylamine,4-fluoro-n-methyl benzylamine,4-fluorophenyl methyl methyl amine,benzenemethanamine, 4-fluoro-n-methyl,1-4-fluorophenyl-n-methyl-methanamine,acmc-1aek3
IUPAC Name	1-(4-fluorophenyl)-N-methylmethanamine
InChI Key	SZJIQLSCDIEJFC-UHFFFAOYSA-N
Molecular Formula	C8H10FN

3,888

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2,5-Difluorobenzylamine, 97%

CAS: 85118-06-5 Molecular Formula: C7H7F2N Molecular Weight (g/mol): 143.14 MDL Number: MFCD00010143 InChI Key: GDFBHCMFIUBEQT-UHFFFAOYSA-N Synonym: 2,5-difluorobenzylamine,2,5-difluorophenyl methanamine,benzenemethanamine, 2,5-difluoro,2,5-difluorobenzyl amine,1-2,5-difluorophenyl methanamine,2, 5-difluorobenzylamine,2,5-difluorophenyl methylamine,pubchem4401,2,5-difluoro-benzylamine,acmc-209q4p PubChem CID: 123589 IUPAC Name: (2,5-difluorophenyl)methanamine SMILES: NCC1=CC(F)=CC=C1F

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Specifications

PubChem CID	123589
CAS	85118-06-5
Molecular Weight (g/mol)	143.14
MDL Number	MFCD00010143
SMILES	NCC1=CC(F)=CC=C1F
Synonym	2,5-difluorobenzylamine,2,5-difluorophenyl methanamine,benzenemethanamine, 2,5-difluoro,2,5-difluorobenzyl amine,1-2,5-difluorophenyl methanamine,2, 5-difluorobenzylamine,2,5-difluorophenyl methylamine,pubchem4401,2,5-difluoro-benzylamine,acmc-209q4p
IUPAC Name	(2,5-difluorophenyl)methanamine
InChI Key	GDFBHCMFIUBEQT-UHFFFAOYSA-N
Molecular Formula	C7H7F2N

3,889

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

CAS: 892502-08-8 Molecular Formula: C12H15N3 Molecular Weight (g/mol): 201.27 MDL Number: MFCD08690302 InChI Key: BQLXMVISWVMAID-UHFFFAOYSA-N Synonym: n-methyl-4-1h-pyrazol-1-ylmethyl benzylamine,methyl 4-pyrazol-1-ylmethyl phenyl methyl amine,methyl 4-1h-pyrazole-1-yl methylbenzyl amine,methyl 4-pyrazolylmethyl phenyl methyl amine,benzenemethanamine,n-methyl-4-1h-pyrazol-1-ylmethyl,n-methyl-1-4-1h-pyrazol-1-ylmethyl phenyl methanamine,1-4-1h-pyrazol-1-yl methyl phenyl-n-methylmethanamine,n-methyl-1-4-1h-pyrazol-1-yl methyl phenyl methanamine,3vr PubChem CID: 18525877 IUPAC Name: N-methyl-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine SMILES: CNCC1=CC=C(CN2C=CC=N2)C=C1

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Specifications

PubChem CID	18525877
CAS	892502-08-8
Molecular Weight (g/mol)	201.27
MDL Number	MFCD08690302
SMILES	CNCC1=CC=C(CN2C=CC=N2)C=C1
Synonym	n-methyl-4-1h-pyrazol-1-ylmethyl benzylamine,methyl 4-pyrazol-1-ylmethyl phenyl methyl amine,methyl 4-1h-pyrazole-1-yl methylbenzyl amine,methyl 4-pyrazolylmethyl phenyl methyl amine,benzenemethanamine,n-methyl-4-1h-pyrazol-1-ylmethyl,n-methyl-1-4-1h-pyrazol-1-ylmethyl phenyl methanamine,1-4-1h-pyrazol-1-yl methyl phenyl-n-methylmethanamine,n-methyl-1-4-1h-pyrazol-1-yl methyl phenyl methanamine,3vr
IUPAC Name	N-methyl-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine
InChI Key	BQLXMVISWVMAID-UHFFFAOYSA-N
Molecular Formula	C12H15N3

3,890

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3,4,5-Trimethoxybenzylamine, 96%

CAS: 18638-99-8 Molecular Formula: C₁₀H₁₅NO₃ Molecular Weight (g/mol): 197.24 MDL Number: MFCD00017150 InChI Key: YUPUSBMJCFBHAP-UHFFFAOYSA-N Synonym: 3,4,5-trimethoxybenzylamine,3,4,5-trimethoxyphenyl methanamine,1-3,4,5-trimethoxyphenyl methanamine,benzenemethanamine, 3,4,5-trimethoxy,3,4,5-trimethoxyphenyl methylamine,1-3,4,5-trimethoxyphenyl methanamine hydrochloride,pubchem16674,acmc-1c5ez,ksc495e6b,3,4,5-trimethoxy benzylamine PubChem CID: 87736 IUPAC Name: (3,4,5-trimethoxyphenyl)methanamine SMILES: COC1=CC(=CC(=C1OC)OC)CN

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Specifications

PubChem CID	87736
CAS	18638-99-8
Molecular Weight (g/mol)	197.24
MDL Number	MFCD00017150
SMILES	COC1=CC(=CC(=C1OC)OC)CN
Synonym	3,4,5-trimethoxybenzylamine,3,4,5-trimethoxyphenyl methanamine,1-3,4,5-trimethoxyphenyl methanamine,benzenemethanamine, 3,4,5-trimethoxy,3,4,5-trimethoxyphenyl methylamine,1-3,4,5-trimethoxyphenyl methanamine hydrochloride,pubchem16674,acmc-1c5ez,ksc495e6b,3,4,5-trimethoxy benzylamine
IUPAC Name	(3,4,5-trimethoxyphenyl)methanamine
InChI Key	YUPUSBMJCFBHAP-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₅NO₃

3,891

3-[(4-Methylperhydro-1,4-diazepin-1-yl)methyl]benzylamine, 95%, Thermo Scientific™

CAS: 915707-48-1 Molecular Formula: C14H23N3 Molecular Weight (g/mol): 233.36 MDL Number: MFCD09787493 InChI Key: MSLZRDIUXASDJH-UHFFFAOYSA-N Synonym: 3-4-methylperhydro-1,4-diazepin-1-yl methyl benzylamine,3-4-methylhomopiperazin-1-yl methyl benzylamine,3-4-methyl-1,4-diazepan-1-yl methyl phenyl methanamine,1-3-4-methyl-1,4-diazepan-1-yl methyl phenyl methanamine,3-4-methyl-1,4-diazaperhydroepinyl methyl phenyl methylamine,benzenemethanamine,3-hexahydro-4-methyl-1h-1,4-diazepin-1-yl methyl,3-4-methylhomopiperazin-1-yl methyl benzylamine, 3-4-methyl-1,4-diazepan-1-yl methyl phenyl methylamine PubChem CID: 24229554 IUPAC Name: [3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine SMILES: CN1CCCN(CC2=CC(CN)=CC=C2)CC1

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Specifications

PubChem CID	24229554
CAS	915707-48-1
Molecular Weight (g/mol)	233.36
MDL Number	MFCD09787493
SMILES	CN1CCCN(CC2=CC(CN)=CC=C2)CC1
Synonym	3-4-methylperhydro-1,4-diazepin-1-yl methyl benzylamine,3-4-methylhomopiperazin-1-yl methyl benzylamine,3-4-methyl-1,4-diazepan-1-yl methyl phenyl methanamine,1-3-4-methyl-1,4-diazepan-1-yl methyl phenyl methanamine,3-4-methyl-1,4-diazaperhydroepinyl methyl phenyl methylamine,benzenemethanamine,3-hexahydro-4-methyl-1h-1,4-diazepin-1-yl methyl,3-4-methylhomopiperazin-1-yl methyl benzylamine, 3-4-methyl-1,4-diazepan-1-yl methyl phenyl methylamine
IUPAC Name	[3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine
InChI Key	MSLZRDIUXASDJH-UHFFFAOYSA-N
Molecular Formula	C14H23N3

3,892

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2-Methyl-5-(trifluoromethoxy)benzylamine, 96%, Thermo Scientific Chemicals

CAS: 1373920-87-6 Molecular Formula: C9H10F3NO Molecular Weight (g/mol): 205.18 MDL Number: MFCD22201056 InChI Key: HUHITEUBBNSNER-UHFFFAOYSA-N Synonym: 2-methyl-5-trifluoromethoxy benzylamine,2-methyl-5-trifluoromethoxy phenyl methanamine,1-2-methyl-5-trifluoromethoxy phenyl methanamine PubChem CID: 86277657 IUPAC Name: [2-methyl-5-(trifluoromethoxy)phenyl]methanamine SMILES: CC1=C(CN)C=C(OC(F)(F)F)C=C1

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Specifications

PubChem CID	86277657
CAS	1373920-87-6
Molecular Weight (g/mol)	205.18
MDL Number	MFCD22201056
SMILES	CC1=C(CN)C=C(OC(F)(F)F)C=C1
Synonym	2-methyl-5-trifluoromethoxy benzylamine,2-methyl-5-trifluoromethoxy phenyl methanamine,1-2-methyl-5-trifluoromethoxy phenyl methanamine
IUPAC Name	[2-methyl-5-(trifluoromethoxy)phenyl]methanamine
InChI Key	HUHITEUBBNSNER-UHFFFAOYSA-N
Molecular Formula	C9H10F3NO

3,893

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2,4-Dimethoxybenzylamine, 98%

CAS: 20781-20-8 Molecular Formula: C9H13NO2 Molecular Weight (g/mol): 167.208 MDL Number: MFCD00052393 InChI Key: QOWBXWFYRXSBAS-UHFFFAOYSA-N PubChem CID: 597250 IUPAC Name: (2,4-dimethoxyphenyl)methanamine SMILES: COC1=CC(=C(C=C1)CN)OC

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Specifications

PubChem CID	597250
CAS	20781-20-8
Molecular Weight (g/mol)	167.208
MDL Number	MFCD00052393
SMILES	COC1=CC(=C(C=C1)CN)OC
IUPAC Name	(2,4-dimethoxyphenyl)methanamine
InChI Key	QOWBXWFYRXSBAS-UHFFFAOYSA-N
Molecular Formula	C9H13NO2

3,894

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

3,895

(3-Thien-3-ylphenyl)methylamine, 97%, Thermo Scientific™

CAS: 138139-99-8 Molecular Formula: C11H11NS Molecular Weight (g/mol): 189.276 MDL Number: MFCD08690276 InChI Key: GBUXQFDNGWGBJH-UHFFFAOYSA-N Synonym: 3-thien-3-ylphenyl methylamine,3-thiophen-3-yl phenyl methanamine,1-3-thiophen-3-yl phenyl methanamine,3-thiophen-3-yl-benzylamine,3-3-thienyl phenyl methylamine,3-thiophen-3-ylphenyl methylamine PubChem CID: 19916941 IUPAC Name: (3-thiophen-3-ylphenyl)methanamine SMILES: C1=CC(=CC(=C1)CN)C2=CSC=C2

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PubChem CID	19916941
CAS	138139-99-8
Molecular Weight (g/mol)	189.276
MDL Number	MFCD08690276
SMILES	C1=CC(=CC(=C1)CN)C2=CSC=C2
Synonym	3-thien-3-ylphenyl methylamine,3-thiophen-3-yl phenyl methanamine,1-3-thiophen-3-yl phenyl methanamine,3-thiophen-3-yl-benzylamine,3-3-thienyl phenyl methylamine,3-thiophen-3-ylphenyl methylamine
IUPAC Name	(3-thiophen-3-ylphenyl)methanamine
InChI Key	GBUXQFDNGWGBJH-UHFFFAOYSA-N
Molecular Formula	C11H11NS

3,896

2-[(4-Methylpiperazin-1-yl)methyl]benzonitrile, ≥97%, Thermo Scientific™

CAS: 864069-00-1 Molecular Formula: C13H17N3 Molecular Weight (g/mol): 215.3 MDL Number: MFCD08271956 InChI Key: SZENQRLSNAOEPP-UHFFFAOYSA-N Synonym: 2-4-methylpiperazin-1-yl methyl benzonitrile,benzonitrile,2-4-methyl-1-piperazinyl methyl,2-4-methylpiperazinyl methyl benzenecarbonitrile PubChem CID: 18525814 IUPAC Name: 2-[(4-methylpiperazin-1-yl)methyl]benzonitrile SMILES: CN1CCN(CC1)CC2=CC=CC=C2C#N

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Specifications

PubChem CID	18525814
CAS	864069-00-1
Molecular Weight (g/mol)	215.3
MDL Number	MFCD08271956
SMILES	CN1CCN(CC1)CC2=CC=CC=C2C#N
Synonym	2-4-methylpiperazin-1-yl methyl benzonitrile,benzonitrile,2-4-methyl-1-piperazinyl methyl,2-4-methylpiperazinyl methyl benzenecarbonitrile
IUPAC Name	2-[(4-methylpiperazin-1-yl)methyl]benzonitrile
InChI Key	SZENQRLSNAOEPP-UHFFFAOYSA-N
Molecular Formula	C13H17N3

3,897

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p-Xylylenediamine, 97%

CAS: 539-48-0 Molecular Formula: C8H12N2 Molecular Weight (g/mol): 136.198 MDL Number: MFCD00009821 InChI Key: ISKQADXMHQSTHK-UHFFFAOYSA-N Synonym: p-xylylenediamine,1,4-phenylenedimethanamine,1,4-bis aminomethyl benzene,1,4-benzenedimethanamine,1,4-xylylenediamine,p-xylylendiamine,4-aminomethylbenzylamine,p-xylylendiamine czech,p-phenylenebis methylamine,4-aminomethyl phenyl methanamine PubChem CID: 68315 IUPAC Name: [4-(aminomethyl)phenyl]methanamine SMILES: C1=CC(=CC=C1CN)CN

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Specifications

PubChem CID	68315
CAS	539-48-0
Molecular Weight (g/mol)	136.198
MDL Number	MFCD00009821
SMILES	C1=CC(=CC=C1CN)CN
Synonym	p-xylylenediamine,1,4-phenylenedimethanamine,1,4-bis aminomethyl benzene,1,4-benzenedimethanamine,1,4-xylylenediamine,p-xylylendiamine,4-aminomethylbenzylamine,p-xylylendiamine czech,p-phenylenebis methylamine,4-aminomethyl phenyl methanamine
IUPAC Name	[4-(aminomethyl)phenyl]methanamine
InChI Key	ISKQADXMHQSTHK-UHFFFAOYSA-N
Molecular Formula	C8H12N2

3,898

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4-(4-morpholinylmethyl)benzonitrile, 97%, Thermo Scientific™

CAS: 37812-51-4 Molecular Formula: C₁₂H₁₄N₂O Molecular Weight (g/mol): 202.26 MDL Number: MFCD00454271 InChI Key: BCZLYNFDOJXWGN-UHFFFAOYSA-N Synonym: 4-morpholinomethyl benzonitrile,4-morpholin-4-ylmethyl benzonitrile,usaf a-3730,p-tolunitrile, alpha-4-morpholinyl,alpha-4-morpholinyl-p-tolunitrile,benzonitrile, 4-4-morpholinylmethyl,4-4-morpholinylmethyl benzonitrile,4-morpholin-4-ylmethyl benzenecarbonitrile,4-morpholin-4-ylmethyl-benzonitrile,benzonitrile,4-4-morpholinylmethyl PubChem CID: 216864 IUPAC Name: 4-(morpholin-4-ylmethyl)benzonitrile SMILES: C1COCCN1CC2=CC=C(C=C2)C#N

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Specifications

PubChem CID	216864
CAS	37812-51-4
Molecular Weight (g/mol)	202.26
MDL Number	MFCD00454271
SMILES	C1COCCN1CC2=CC=C(C=C2)C#N
Synonym	4-morpholinomethyl benzonitrile,4-morpholin-4-ylmethyl benzonitrile,usaf a-3730,p-tolunitrile, alpha-4-morpholinyl,alpha-4-morpholinyl-p-tolunitrile,benzonitrile, 4-4-morpholinylmethyl,4-4-morpholinylmethyl benzonitrile,4-morpholin-4-ylmethyl benzenecarbonitrile,4-morpholin-4-ylmethyl-benzonitrile,benzonitrile,4-4-morpholinylmethyl
IUPAC Name	4-(morpholin-4-ylmethyl)benzonitrile
InChI Key	BCZLYNFDOJXWGN-UHFFFAOYSA-N
Molecular Formula	C₁₂H₁₄N₂O

3,899

N-Methyl-2-(phenoxymethyl)benzylamine, 97%, Thermo Scientific™

CAS: 892502-17-9 Molecular Formula: C15H17NO Molecular Weight (g/mol): 227.307 MDL Number: MFCD09025894 InChI Key: WFUPXVCKIKJBIM-UHFFFAOYSA-N Synonym: n-methyl-2-phenoxymethyl benzylamine,methyl 2-phenoxymethyl phenyl methyl amine,n-methyl-1-2-phenoxymethyl phenyl methanamine,benzenemethanamine,n-methyl-2-phenoxymethyl PubChem CID: 18525895 IUPAC Name: N-methyl-1-[2-(phenoxymethyl)phenyl]methanamine SMILES: CNCC1=CC=CC=C1COC2=CC=CC=C2

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Specifications

PubChem CID	18525895
CAS	892502-17-9
Molecular Weight (g/mol)	227.307
MDL Number	MFCD09025894
SMILES	CNCC1=CC=CC=C1COC2=CC=CC=C2
Synonym	n-methyl-2-phenoxymethyl benzylamine,methyl 2-phenoxymethyl phenyl methyl amine,n-methyl-1-2-phenoxymethyl phenyl methanamine,benzenemethanamine,n-methyl-2-phenoxymethyl
IUPAC Name	N-methyl-1-[2-(phenoxymethyl)phenyl]methanamine
InChI Key	WFUPXVCKIKJBIM-UHFFFAOYSA-N
Molecular Formula	C15H17NO

3,900

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N-(4-Vinylbenzyl)-N,N-dimethylamine, 90%, technical, stabilized

CAS: 2245-52-5 Molecular Formula: C11H16N Molecular Weight (g/mol): 162.26 MDL Number: MFCD00078270 InChI Key: XQBHAZDVLGNSOJ-UHFFFAOYSA-O Synonym: benzenemethanamine, 4-ethenyl-n,n-dimethyl,n,n-dimethyl-1-4-vinylphenyl methanamine,n-4-vinylbenzyl-n,n-dimethylamine,n,n-dimethyl-4'-vinylbenzylamine,4-vinylbenzyldimethylamine,p-dimethylaminomethylstyrene,4-n,n-dimethylaminomethyl styrene,4-n,n,-dimethylaminomethyl styrene,dimethyl 4-vinylphenyl methyl amine,benzenemethanamine,4-ethenyl-n,n-dimethyl PubChem CID: 519956 IUPAC Name: 1-(4-ethenylphenyl)-N,N-dimethylmethanamine SMILES: C[NH+](C)CC1=CC=C(C=C)C=C1

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Specifications

PubChem CID	519956
CAS	2245-52-5
Molecular Weight (g/mol)	162.26
MDL Number	MFCD00078270
SMILES	C[NH+](C)CC1=CC=C(C=C)C=C1
Synonym	benzenemethanamine, 4-ethenyl-n,n-dimethyl,n,n-dimethyl-1-4-vinylphenyl methanamine,n-4-vinylbenzyl-n,n-dimethylamine,n,n-dimethyl-4'-vinylbenzylamine,4-vinylbenzyldimethylamine,p-dimethylaminomethylstyrene,4-n,n-dimethylaminomethyl styrene,4-n,n,-dimethylaminomethyl styrene,dimethyl 4-vinylphenyl methyl amine,benzenemethanamine,4-ethenyl-n,n-dimethyl
IUPAC Name	1-(4-ethenylphenyl)-N,N-dimethylmethanamine
InChI Key	XQBHAZDVLGNSOJ-UHFFFAOYSA-O
Molecular Formula	C11H16N

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