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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4,201 – 4,215 of 57,008 results

4,201

4-(Difluoromethoxy)aniline, 97%

CAS: 22236-10-8 Molecular Formula: C7H7F2NO Molecular Weight (g/mol): 159.136 MDL Number: MFCD00085005 InChI Key: NDEZTSHWEPQVBX-UHFFFAOYSA-N Synonym: 4-difluoromethoxy aniline,4-difluoromethoxy-phenylamine,p-difluoromethoxyaniline,4-amino-alpha,alpha-difluoroanisole,4-difluoromethoxy benzenamine,benzenamine, 4-difluoromethoxy,4-difluoromethoxy phenylamine,4-difluormethoxy anilin,pubchem8467 PubChem CID: 737363 IUPAC Name: 4-(difluoromethoxy)aniline SMILES: C1=CC(=CC=C1N)OC(F)F

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Specifications

PubChem CID	737363
CAS	22236-10-8
Molecular Weight (g/mol)	159.136
MDL Number	MFCD00085005
SMILES	C1=CC(=CC=C1N)OC(F)F
Synonym	4-difluoromethoxy aniline,4-difluoromethoxy-phenylamine,p-difluoromethoxyaniline,4-amino-alpha,alpha-difluoroanisole,4-difluoromethoxy benzenamine,benzenamine, 4-difluoromethoxy,4-difluoromethoxy phenylamine,4-difluormethoxy anilin,pubchem8467
IUPAC Name	4-(difluoromethoxy)aniline
InChI Key	NDEZTSHWEPQVBX-UHFFFAOYSA-N
Molecular Formula	C7H7F2NO

4,202

3-(Trifluoromethoxy)aniline, 98%

CAS: 1535-73-5 Molecular Formula: C7H6F3NO Molecular Weight (g/mol): 177.126 MDL Number: MFCD00041511 InChI Key: SADHVOSOZBAAGL-UHFFFAOYSA-N Synonym: 3-trifluoromethoxy aniline,3-trifluoromethoxy-phenylamine,m-aminophenyl trifluoromethyl ether,m-trifluoromethoxy aniline,benzenamine, 3-trifluoromethoxy,alpha,alpha,alpha-trifluoro-m-anisidine,3-trifluoromethoxy benzenamine,3-trifluoromethoxy phenylamine,pubchem4507 PubChem CID: 73753 IUPAC Name: 3-(trifluoromethoxy)aniline SMILES: C1=CC(=CC(=C1)OC(F)(F)F)N

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Specifications

PubChem CID	73753
CAS	1535-73-5
Molecular Weight (g/mol)	177.126
MDL Number	MFCD00041511
SMILES	C1=CC(=CC(=C1)OC(F)(F)F)N
Synonym	3-trifluoromethoxy aniline,3-trifluoromethoxy-phenylamine,m-aminophenyl trifluoromethyl ether,m-trifluoromethoxy aniline,benzenamine, 3-trifluoromethoxy,alpha,alpha,alpha-trifluoro-m-anisidine,3-trifluoromethoxy benzenamine,3-trifluoromethoxy phenylamine,pubchem4507
IUPAC Name	3-(trifluoromethoxy)aniline
InChI Key	SADHVOSOZBAAGL-UHFFFAOYSA-N
Molecular Formula	C7H6F3NO

4,203

Phenoxyethanol, Reagent, 99%, Spectrum™ Chemical

CAS: 122-99-6 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 InChI Key: QCDWFXQBSFUVSP-UHFFFAOYSA-N IUPAC Name: 2-phenoxyethan-1-ol SMILES: OCCOC1=CC=CC=C1

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Specifications

CAS	122-99-6
Molecular Weight (g/mol)	138.17
SMILES	OCCOC1=CC=CC=C1
IUPAC Name	2-phenoxyethan-1-ol
InChI Key	QCDWFXQBSFUVSP-UHFFFAOYSA-N
Molecular Formula	C8H10O2

4,204

3,4-Dimethoxytoluene, 98%

CAS: 494-99-5 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.193 MDL Number: MFCD00016651 InChI Key: GYPMBQZAVBFUIZ-UHFFFAOYSA-N Synonym: 3,4-dimethoxytoluene,homoveratrole,4-methylveratrole,benzene, 1,2-dimethoxy-4-methyl,4-methylveratrol,4-methyl-1,2-dimethoxybenzene,1,2-dimethoxy-4-methyl-benzene,unii-349x0g2ssf,homoveratrol PubChem CID: 68126 IUPAC Name: 1,2-dimethoxy-4-methylbenzene SMILES: CC1=CC(=C(C=C1)OC)OC

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Specifications

PubChem CID	68126
CAS	494-99-5
Molecular Weight (g/mol)	152.193
MDL Number	MFCD00016651
SMILES	CC1=CC(=C(C=C1)OC)OC
Synonym	3,4-dimethoxytoluene,homoveratrole,4-methylveratrole,benzene, 1,2-dimethoxy-4-methyl,4-methylveratrol,4-methyl-1,2-dimethoxybenzene,1,2-dimethoxy-4-methyl-benzene,unii-349x0g2ssf,homoveratrol
IUPAC Name	1,2-dimethoxy-4-methylbenzene
InChI Key	GYPMBQZAVBFUIZ-UHFFFAOYSA-N
Molecular Formula	C9H12O2

4,205

3-Benzyloxybenzoic acid, 98%

CAS: 69026-14-8 Molecular Formula: C14H11O3 Molecular Weight (g/mol): 227.24 MDL Number: MFCD00527901 InChI Key: CISXCTKEQYOZAM-UHFFFAOYSA-M Synonym: 3-benzyloxy benzoic acid,3-benzyloxybenzoic acid,benzoic acid, 3-phenylmethoxy,3-benzyloxy-benzoic acid,3-phenylmethoxy benzoic acid,enamine_004835,acmc-1b5k3 PubChem CID: 309226 IUPAC Name: 3-phenylmethoxybenzoic acid SMILES: [O-]C(=O)C1=CC=CC(OCC2=CC=CC=C2)=C1

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Specifications

PubChem CID	309226
CAS	69026-14-8
Molecular Weight (g/mol)	227.24
MDL Number	MFCD00527901
SMILES	[O-]C(=O)C1=CC=CC(OCC2=CC=CC=C2)=C1
Synonym	3-benzyloxy benzoic acid,3-benzyloxybenzoic acid,benzoic acid, 3-phenylmethoxy,3-benzyloxy-benzoic acid,3-phenylmethoxy benzoic acid,enamine_004835,acmc-1b5k3
IUPAC Name	3-phenylmethoxybenzoic acid
InChI Key	CISXCTKEQYOZAM-UHFFFAOYSA-M
Molecular Formula	C14H11O3

4,206

Phenetole, 98+%

CAS: 103-73-1 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.167 MDL Number: MFCD00009090 InChI Key: DLRJIFUOBPOJNS-UHFFFAOYSA-N Synonym: phenetole,benzene, ethoxy,ethyl phenyl ether,phenetol,phenyl ethyl ether,phenoxyethane,a phenoxyethane,ether, ethyl phenyl,unii-rb8lu2c57f PubChem CID: 7674 ChEBI: CHEBI:67129 IUPAC Name: ethoxybenzene SMILES: CCOC1=CC=CC=C1

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Specifications

PubChem CID	7674
CAS	103-73-1
Molecular Weight (g/mol)	122.167
ChEBI	CHEBI:67129
MDL Number	MFCD00009090
SMILES	CCOC1=CC=CC=C1
Synonym	phenetole,benzene, ethoxy,ethyl phenyl ether,phenetol,phenyl ethyl ether,phenoxyethane,a phenoxyethane,ether, ethyl phenyl,unii-rb8lu2c57f
IUPAC Name	ethoxybenzene
InChI Key	DLRJIFUOBPOJNS-UHFFFAOYSA-N
Molecular Formula	C8H10O

4,207

3-Hydroxybenzophenone, 98+%

CAS: 13020-57-0 Molecular Formula: C13H10O2 Molecular Weight (g/mol): 198.221 MDL Number: MFCD00002297 InChI Key: SHULEACXTONYPS-UHFFFAOYSA-N Synonym: 3-hydroxybenzophenone,3-hydroxyphenyl phenyl methanone,m-hydroxybenzophenone,methanone, 3-hydroxyphenyl phenyl,3-hydroxy-benzophenon,dsstox_cid_27856,dsstox_rid_82609,dsstox_gsid_47880,3-hydroxyphenyl phenyl ketone PubChem CID: 83050 IUPAC Name: (3-hydroxyphenyl)-phenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)O

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Specifications

PubChem CID	83050
CAS	13020-57-0
Molecular Weight (g/mol)	198.221
MDL Number	MFCD00002297
SMILES	C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)O
Synonym	3-hydroxybenzophenone,3-hydroxyphenyl phenyl methanone,m-hydroxybenzophenone,methanone, 3-hydroxyphenyl phenyl,3-hydroxy-benzophenon,dsstox_cid_27856,dsstox_rid_82609,dsstox_gsid_47880,3-hydroxyphenyl phenyl ketone
IUPAC Name	(3-hydroxyphenyl)-phenylmethanone
InChI Key	SHULEACXTONYPS-UHFFFAOYSA-N
Molecular Formula	C13H10O2

4,208

2-Hydroxybenzophenone, 99%

CAS: 117-99-7 Molecular Formula: C₁₃H₁₀O₂ Molecular Weight (g/mol): 198.22 MDL Number: MFCD00002216 InChI Key: HJIAMFHSAAEUKR-UHFFFAOYSA-N Synonym: 2-hydroxybenzophenone,o-benzoylphenol,2-hydroxyphenyl phenyl methanone,o-hydroxybenzophenone,benzophenone, 2-hydroxy,methanone, 2-hydroxyphenyl phenyl,phenyl 2-hydroxyphenyl ketone,unii-lqv22w4v05,ortho-hydroxybenzophenone,2-hydroxyphenyl phenylmethanone PubChem CID: 8348 IUPAC Name: (2-hydroxyphenyl)-phenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2O

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Specifications

PubChem CID	8348
CAS	117-99-7
Molecular Weight (g/mol)	198.22
MDL Number	MFCD00002216
SMILES	C1=CC=C(C=C1)C(=O)C2=CC=CC=C2O
Synonym	2-hydroxybenzophenone,o-benzoylphenol,2-hydroxyphenyl phenyl methanone,o-hydroxybenzophenone,benzophenone, 2-hydroxy,methanone, 2-hydroxyphenyl phenyl,phenyl 2-hydroxyphenyl ketone,unii-lqv22w4v05,ortho-hydroxybenzophenone,2-hydroxyphenyl phenylmethanone
IUPAC Name	(2-hydroxyphenyl)-phenylmethanone
InChI Key	HJIAMFHSAAEUKR-UHFFFAOYSA-N
Molecular Formula	C₁₃H₁₀O₂

4,209

4-Methoxy-4'-nitrobenzophenone, 97%

CAS: 1151-94-6 Molecular Formula: C14H11NO4 Molecular Weight (g/mol): 257.25 MDL Number: MFCD00178348 InChI Key: DXVSAELNVPXMSQ-UHFFFAOYSA-N Synonym: 4-methoxy-4'-nitrobenzophenone,4-methoxyphenyl 4-nitrophenyl methanone,4-methoxyphenyl-4-nitrophenyl methanone,methanone, 4-methoxyphenyl 4-nitrophenyl,4-methoxy-phenyl-4-nitro-phenyl-methanone,acmc-1buw2,4-methoxy-4-nitrobenzophenone,4-methoxy-4?-nitrobenzophenone,4-methoxy-4/'-nitrobenzophenone PubChem CID: 347772 IUPAC Name: (4-methoxyphenyl)-(4-nitrophenyl)methanone SMILES: COC1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)[N+]([O-])=O

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Specifications

PubChem CID	347772
CAS	1151-94-6
Molecular Weight (g/mol)	257.25
MDL Number	MFCD00178348
SMILES	COC1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)[N+]([O-])=O
Synonym	4-methoxy-4'-nitrobenzophenone,4-methoxyphenyl 4-nitrophenyl methanone,4-methoxyphenyl-4-nitrophenyl methanone,methanone, 4-methoxyphenyl 4-nitrophenyl,4-methoxy-phenyl-4-nitro-phenyl-methanone,acmc-1buw2,4-methoxy-4-nitrobenzophenone,4-methoxy-4?-nitrobenzophenone,4-methoxy-4/'-nitrobenzophenone
IUPAC Name	(4-methoxyphenyl)-(4-nitrophenyl)methanone
InChI Key	DXVSAELNVPXMSQ-UHFFFAOYSA-N
Molecular Formula	C14H11NO4

4,210

2-Hydroxy-4-methoxybenzophenone-5-sulfonic acid hydrate, tech. 85%, may cont. up to 10% 2-propanol

CAS: 4065-45-6 Molecular Formula: C14H12O6S Molecular Weight (g/mol): 308.30 MDL Number: MFCD00024962 InChI Key: CXVGEDCSTKKODG-UHFFFAOYSA-N Synonym: sulisobenzone,benzophenone-4,sungard,2-hydroxy-4-methoxybenzophenone-5-sulfonic acid,benzophenone 4,uval,uvinul,benzenesulfonic acid, 5-benzoyl-4-hydroxy-2-methoxy,sulisobenzona,sulisobenzonum PubChem CID: 19988 IUPAC Name: 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid SMILES: COC1=CC(O)=C(C=C1S(O)(=O)=O)C(=O)C1=CC=CC=C1

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Specifications

PubChem CID	19988
CAS	4065-45-6
Molecular Weight (g/mol)	308.30
MDL Number	MFCD00024962
SMILES	COC1=CC(O)=C(C=C1S(O)(=O)=O)C(=O)C1=CC=CC=C1
Synonym	sulisobenzone,benzophenone-4,sungard,2-hydroxy-4-methoxybenzophenone-5-sulfonic acid,benzophenone 4,uval,uvinul,benzenesulfonic acid, 5-benzoyl-4-hydroxy-2-methoxy,sulisobenzona,sulisobenzonum
IUPAC Name	5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid
InChI Key	CXVGEDCSTKKODG-UHFFFAOYSA-N
Molecular Formula	C14H12O6S

4,211

4-(Boc-amino)benzeneboronic acid pinacol ester, 97%

CAS: 330793-01-6 Molecular Formula: C17H26BNO4 Molecular Weight (g/mol): 319.21 MDL Number: MFCD02179439 InChI Key: HSJNIOYPTSKQBD-UHFFFAOYSA-N Synonym: 4-n-boc-amino phenylboronic acid pinacol ester,tert-butyl 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,4-boc-amino benzeneboronic acid pinacol ester,tert-butyl n-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,4-boc-amino phenylboronic acid pinacol cyclic ester,4-boc-aminophenylboronic acid, pinacol ester,4-tert-butoxycarbonyl aminophenylboronic acid, pinacol ester,tert-butyl n-4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,tert-butyl 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenylcarbamate PubChem CID: 2734617 IUPAC Name: tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate SMILES: CC(C)(C)OC(=O)NC1=CC=C(C=C1)B1OC(C)(C)C(C)(C)O1

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Specifications

PubChem CID	2734617
CAS	330793-01-6
Molecular Weight (g/mol)	319.21
MDL Number	MFCD02179439
SMILES	CC(C)(C)OC(=O)NC1=CC=C(C=C1)B1OC(C)(C)C(C)(C)O1
Synonym	4-n-boc-amino phenylboronic acid pinacol ester,tert-butyl 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,4-boc-amino benzeneboronic acid pinacol ester,tert-butyl n-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,4-boc-amino phenylboronic acid pinacol cyclic ester,4-boc-aminophenylboronic acid, pinacol ester,4-tert-butoxycarbonyl aminophenylboronic acid, pinacol ester,tert-butyl n-4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,tert-butyl 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenylcarbamate
IUPAC Name	tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
InChI Key	HSJNIOYPTSKQBD-UHFFFAOYSA-N
Molecular Formula	C17H26BNO4

4,212

4-(Boc-amino)-2-chlorobenzoic acid, 97%

CAS: 232275-73-9 Molecular Formula: C12H14ClNO4 Molecular Weight (g/mol): 271.697 MDL Number: MFCD02682164 InChI Key: HDYBNYDKCZJPPX-UHFFFAOYSA-N Synonym: n-boc-4-amino-2-chlorobenzoic acid,4-tert-butoxycarbonyl amino-2-chlorobenzoic acid,2-chloro-4-boc-amino-benzoic acid,4-tert-butoxy carbonyl amino-2-chlorobenzoic acid,2-chloro-4-boc-amino benzoic acid,4-tert-butoxycarbonylamino-2-chloro-benzoic acid,4-tert-butoxycarbonylamino-2-chlorobenzoic acid,benzoic acid,2-chloro-4-1,1-dimethylethoxy carbonyl amino PubChem CID: 17750449 IUPAC Name: 2-chloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid SMILES: CC(C)(C)OC(=O)NC1=CC(=C(C=C1)C(=O)O)Cl

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Specifications

PubChem CID	17750449
CAS	232275-73-9
Molecular Weight (g/mol)	271.697
MDL Number	MFCD02682164
SMILES	CC(C)(C)OC(=O)NC1=CC(=C(C=C1)C(=O)O)Cl
Synonym	n-boc-4-amino-2-chlorobenzoic acid,4-tert-butoxycarbonyl amino-2-chlorobenzoic acid,2-chloro-4-boc-amino-benzoic acid,4-tert-butoxy carbonyl amino-2-chlorobenzoic acid,2-chloro-4-boc-amino benzoic acid,4-tert-butoxycarbonylamino-2-chloro-benzoic acid,4-tert-butoxycarbonylamino-2-chlorobenzoic acid,benzoic acid,2-chloro-4-1,1-dimethylethoxy carbonyl amino
IUPAC Name	2-chloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
InChI Key	HDYBNYDKCZJPPX-UHFFFAOYSA-N
Molecular Formula	C12H14ClNO4

4,213

3-(Boc-amino)benzeneboronic acid pinacol ester, 97%

CAS: 330793-09-4 Molecular Formula: C17H26BNO4 Molecular Weight (g/mol): 319.208 MDL Number: MFCD03789256 InChI Key: ANQAOGOIWVMGCH-UHFFFAOYSA-N Synonym: tert-butyl 3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,tert-butyl-n-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,3-n-boc-amino phenylboronic acid pinacol ester,3-boc-amino benzeneboronic acid pinacol ester,tert-butyl n-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,3-boc-aminophenylboronic acid, pinacol ester,tert-butyl n-3-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,3-tert-butoxycarbonylamino phenylboronic acid pinacol ester,3-tert-butoxycarbonylamino phenylboronic acid, pinacol ester,3-tert-butoxycarbonyl amino benzeneboronic acid, pinacol ester PubChem CID: 2773617 IUPAC Name: tert-butyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)NC(=O)OC(C)(C)C

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Specifications

PubChem CID	2773617
CAS	330793-09-4
Molecular Weight (g/mol)	319.208
MDL Number	MFCD03789256
SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)NC(=O)OC(C)(C)C
Synonym	tert-butyl 3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,tert-butyl-n-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,3-n-boc-amino phenylboronic acid pinacol ester,3-boc-amino benzeneboronic acid pinacol ester,tert-butyl n-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,3-boc-aminophenylboronic acid, pinacol ester,tert-butyl n-3-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,3-tert-butoxycarbonylamino phenylboronic acid pinacol ester,3-tert-butoxycarbonylamino phenylboronic acid, pinacol ester,3-tert-butoxycarbonyl amino benzeneboronic acid, pinacol ester
IUPAC Name	tert-butyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
InChI Key	ANQAOGOIWVMGCH-UHFFFAOYSA-N
Molecular Formula	C17H26BNO4

4,214

3-Phenyl-1-propylamine, 98%

CAS: 2038-57-5 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00008224 InChI Key: LYUQWQRTDLVQGA-UHFFFAOYSA-N Synonym: 3-phenylpropylamine,benzenepropanamine,1-amino-3-phenylpropane,hydrocinnamylamine,gamma-phenylpropylamine,3-phenyl-n-propylamine,3-phenyl-1-propylamine,3-phenyl-1-propanamine,propylamine, 3-phenyl,3-phenylpropanamine PubChem CID: 16259 IUPAC Name: 3-phenylpropan-1-amine SMILES: NCCCC1=CC=CC=C1

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Specifications

PubChem CID	16259
CAS	2038-57-5
Molecular Weight (g/mol)	135.21
MDL Number	MFCD00008224
SMILES	NCCCC1=CC=CC=C1
Synonym	3-phenylpropylamine,benzenepropanamine,1-amino-3-phenylpropane,hydrocinnamylamine,gamma-phenylpropylamine,3-phenyl-n-propylamine,3-phenyl-1-propylamine,3-phenyl-1-propanamine,propylamine, 3-phenyl,3-phenylpropanamine
IUPAC Name	3-phenylpropan-1-amine
InChI Key	LYUQWQRTDLVQGA-UHFFFAOYSA-N
Molecular Formula	C9H13N

4,215

PubChem CID	16259
CAS	2038-57-5
Molecular Weight (g/mol)	135.21
MDL Number	MFCD00008224
SMILES	NCCCC1=CC=CC=C1
Synonym	3-phenylpropylamine,benzenepropanamine,1-amino-3-phenylpropane,hydrocinnamylamine,gamma-phenylpropylamine,3-phenyl-n-propylamine,3-phenyl-1-propylamine,3-phenyl-1-propanamine,propylamine, 3-phenyl,3-phenylpropanamine
IUPAC Name	3-phenylpropan-1-amine
InChI Key	LYUQWQRTDLVQGA-UHFFFAOYSA-N
Molecular Formula	C9H13N

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