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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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1 – 15 of 10,049 results
1

N-Benzyl-p-toluenesulfonamide

CAS: 1576-37-0 Molecular Formula: C14H15NO2S Molecular Weight (g/mol): 261.339 MDL Number: MFCD00159328 InChI Key: WTHKAJZQYNKTCJ-UHFFFAOYSA-N Synonym: n-benzyl-p-toluenesulfonamide,n-tosylbenzylamine,p-toluenesulfonamide, n-benzyl,n-benzyl-p-toluenesulphonamide,n-benzyl-4-methyl-benzenesulfonamide,n-benzyl-4-methylbenzene-1-sulfonamide,n-benzyl-p-toluene sulphonamide,benzenesulfonamide, 4-methyl-n-phenylmethyl,4-methyl-n-phenylmethyl benzenesulfonamide,4-methyl-n-phenylmethyl-benzenesulfonamid PubChem CID: 95801 IUPAC Name: N-benzyl-4-methylbenzenesulfonamide SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2

PubChem CID 95801
CAS 1576-37-0
Molecular Weight (g/mol) 261.339
MDL Number MFCD00159328
SMILES CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2
Synonym n-benzyl-p-toluenesulfonamide,n-tosylbenzylamine,p-toluenesulfonamide, n-benzyl,n-benzyl-p-toluenesulphonamide,n-benzyl-4-methyl-benzenesulfonamide,n-benzyl-4-methylbenzene-1-sulfonamide,n-benzyl-p-toluene sulphonamide,benzenesulfonamide, 4-methyl-n-phenylmethyl,4-methyl-n-phenylmethyl benzenesulfonamide,4-methyl-n-phenylmethyl-benzenesulfonamid
IUPAC Name N-benzyl-4-methylbenzenesulfonamide
InChI Key WTHKAJZQYNKTCJ-UHFFFAOYSA-N
Molecular Formula C14H15NO2S
2

N-Benzyl-tert-butylamine, 96%

CAS: 3378-72-1 Molecular Formula: C11H17N Molecular Weight (g/mol): 163.264 MDL Number: MFCD00008798 InChI Key: DLSOILHAKCBARI-UHFFFAOYSA-N Synonym: n-tert-butyl benzylamine,n-tert-butylbenzylamine,n-benzyl-tert-butylamine,tert-butylbenzylamine,n-t-butylbenzylamine,benzenemethanamine, n-1,1-dimethylethyl,benzyl tert-butyl amine,tert-butyl benzylamine,t-butylbenzylamine,n-1,1-dimethylethyl benzylamine PubChem CID: 76908 IUPAC Name: N-benzyl-2-methylpropan-2-amine SMILES: CC(C)(C)NCC1=CC=CC=C1

PubChem CID 76908
CAS 3378-72-1
Molecular Weight (g/mol) 163.264
MDL Number MFCD00008798
SMILES CC(C)(C)NCC1=CC=CC=C1
Synonym n-tert-butyl benzylamine,n-tert-butylbenzylamine,n-benzyl-tert-butylamine,tert-butylbenzylamine,n-t-butylbenzylamine,benzenemethanamine, n-1,1-dimethylethyl,benzyl tert-butyl amine,tert-butyl benzylamine,t-butylbenzylamine,n-1,1-dimethylethyl benzylamine
IUPAC Name N-benzyl-2-methylpropan-2-amine
InChI Key DLSOILHAKCBARI-UHFFFAOYSA-N
Molecular Formula C11H17N
3

N-Benzyl-N-phenylhydrazine hydrochloride, 98+%

CAS: 5705-15-7 Molecular Formula: C13H15ClN2 Molecular Weight (g/mol): 234.73 MDL Number: MFCD00050690 InChI Key: JTYLHYOCBGPMNO-UHFFFAOYSA-N Synonym: 1-benzyl-1-phenylhydrazine hydrochloride,n-benzyl-n-phenylhydrazine hydrochloride,usaf ek-1666,hydrazine, 1-phenyl-1-phenylmethyl-, monohydrochloride,alpha-benzyl-alpha-phenylhydrazine hydrochloride,n-benzyl-n-phenylhydrazinium 1+ chloride,hydrazine, 1-benzyl-1-phenyl-, hydrochloride,1-benzyl-1-phenylhydrazine hydrochloride van,hydrazine, 1-phenyl-1-phenylmethyl-, hydrochloride 1:1,acmc-209lvq PubChem CID: 79785 IUPAC Name: 1-benzyl-1-phenylhydrazine;hydrochloride SMILES: [H+].[Cl-].NN(CC1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 79785
CAS 5705-15-7
Molecular Weight (g/mol) 234.73
MDL Number MFCD00050690
SMILES [H+].[Cl-].NN(CC1=CC=CC=C1)C1=CC=CC=C1
Synonym 1-benzyl-1-phenylhydrazine hydrochloride,n-benzyl-n-phenylhydrazine hydrochloride,usaf ek-1666,hydrazine, 1-phenyl-1-phenylmethyl-, monohydrochloride,alpha-benzyl-alpha-phenylhydrazine hydrochloride,n-benzyl-n-phenylhydrazinium 1+ chloride,hydrazine, 1-benzyl-1-phenyl-, hydrochloride,1-benzyl-1-phenylhydrazine hydrochloride van,hydrazine, 1-phenyl-1-phenylmethyl-, hydrochloride 1:1,acmc-209lvq
IUPAC Name 1-benzyl-1-phenylhydrazine;hydrochloride
InChI Key JTYLHYOCBGPMNO-UHFFFAOYSA-N
Molecular Formula C13H15ClN2
4

N-Benzyl-4-methoxyaniline, 99%, Thermo Scientific™

CAS: 17377-95-6 Molecular Formula: C14H15NO Molecular Weight (g/mol): 213.28 MDL Number: MFCD00059298 InChI Key: LIJJGMDKVVOEFT-UHFFFAOYSA-N Synonym: n-benzyl-p-anisidine,n-4-methoxyphenyl-n-benzylamine,4-methoxyphenyl benzylamine,n-benzyl-para-anisidine,acmc-1bvsm,n-benzyl-p-methoxyaniline,cambridge id 5107549,n-benzyl-4-methoxy-aniline,n-4-methoxyphenyl benzylamine,n-4-methoxyphenyl benzyl amine PubChem CID: 519413 IUPAC Name: N-benzyl-4-methoxyaniline SMILES: COC1=CC=C(NCC2=CC=CC=C2)C=C1

PubChem CID 519413
CAS 17377-95-6
Molecular Weight (g/mol) 213.28
MDL Number MFCD00059298
SMILES COC1=CC=C(NCC2=CC=CC=C2)C=C1
Synonym n-benzyl-p-anisidine,n-4-methoxyphenyl-n-benzylamine,4-methoxyphenyl benzylamine,n-benzyl-para-anisidine,acmc-1bvsm,n-benzyl-p-methoxyaniline,cambridge id 5107549,n-benzyl-4-methoxy-aniline,n-4-methoxyphenyl benzylamine,n-4-methoxyphenyl benzyl amine
IUPAC Name N-benzyl-4-methoxyaniline
InChI Key LIJJGMDKVVOEFT-UHFFFAOYSA-N
Molecular Formula C14H15NO
5

N-Benzyl-3-pyridinemethylamine, 97%, Thermo Scientific Chemicals

CAS: 63361-56-8 Molecular Formula: C13H14N2 Molecular Weight (g/mol): 198.27 MDL Number: MFCD00716866,MFCD08061098 InChI Key: COHYOBKZKMKMIX-UHFFFAOYSA-N Synonym: benzyl-pyridin-3-ylmethyl-amine,n-nicotinylbenzylamine,benzyl pyridin-3-ylmethyl amine,benzylpyridin-3-ylmethylamine,1-phenyl-n-pyridin-3-ylmethyl methylamine,n-benzyl-3-pyridinemethylamine,n-benzyl-1-pyridin-3-yl methanamine,benzyl 3-pyridylmethyl amine,acmc-20aos7,3-benzylaminomethyl pyridine PubChem CID: 293794 IUPAC Name: 1-phenyl-N-(pyridin-3-ylmethyl)methanamine SMILES: C(NCC1=CC=CN=C1)C1=CC=CC=C1

PubChem CID 293794
CAS 63361-56-8
Molecular Weight (g/mol) 198.27
MDL Number MFCD00716866,MFCD08061098
SMILES C(NCC1=CC=CN=C1)C1=CC=CC=C1
Synonym benzyl-pyridin-3-ylmethyl-amine,n-nicotinylbenzylamine,benzyl pyridin-3-ylmethyl amine,benzylpyridin-3-ylmethylamine,1-phenyl-n-pyridin-3-ylmethyl methylamine,n-benzyl-3-pyridinemethylamine,n-benzyl-1-pyridin-3-yl methanamine,benzyl 3-pyridylmethyl amine,acmc-20aos7,3-benzylaminomethyl pyridine
IUPAC Name 1-phenyl-N-(pyridin-3-ylmethyl)methanamine
InChI Key COHYOBKZKMKMIX-UHFFFAOYSA-N
Molecular Formula C13H14N2
6

(S)-(-)-N-Benzyl-1-phenylethylamine, ChiPros∣r, 99%, ee 99+%

CAS: 17480-69-2 Molecular Formula: C15H24N Molecular Weight (g/mol): 218.36 MDL Number: MFCD00066325 InChI Key: UHABCGJJMSQRRP-ZDUSSCGKSA-O Synonym: s---n-benzyl-1-phenylethylamine,s---n-benzyl-alpha-methylbenzylamine,s-n-benzyl-1-phenylethanamine,s-n-benzyl-1-phenylethylamine,benzyl 1s-1-phenylethyl amine,s-n-benzyl-alpha-methylbenzylamine,s--n-benzyl-alpha-phenylethylamine,pubchem5973,n-benzyl-d-amphetamine PubChem CID: 1268085 IUPAC Name: (1S)-N-benzyl-1-phenylethanamine SMILES: C[C@H]([NH2+]CC1CCCCC1)C1=CC=CC=C1

PubChem CID 1268085
CAS 17480-69-2
Molecular Weight (g/mol) 218.36
MDL Number MFCD00066325
SMILES C[C@H]([NH2+]CC1CCCCC1)C1=CC=CC=C1
Synonym s---n-benzyl-1-phenylethylamine,s---n-benzyl-alpha-methylbenzylamine,s-n-benzyl-1-phenylethanamine,s-n-benzyl-1-phenylethylamine,benzyl 1s-1-phenylethyl amine,s-n-benzyl-alpha-methylbenzylamine,s--n-benzyl-alpha-phenylethylamine,pubchem5973,n-benzyl-d-amphetamine
IUPAC Name (1S)-N-benzyl-1-phenylethanamine
InChI Key UHABCGJJMSQRRP-ZDUSSCGKSA-O
Molecular Formula C15H24N
7

[(N-Benzyl-N-methylammonium)methyl]trifluoroborate internal salt, 95 %, Thermo Scientific Chemicals

CAS: 1268341-00-9 Molecular Formula: C9H13BF3N Molecular Weight (g/mol): 203.015 MDL Number: MFCD20134169 InChI Key: JRTRNQRZOUGDCI-UHFFFAOYSA-O Synonym: n-benzyl-n-methylammonium methyl trifluoroborate internal salt,benzyl methyl ammonio methyl trifluoroboranuide PubChem CID: 53243645 IUPAC Name: [benzyl(methyl)azaniumyl]methyl-trifluoroboranuide SMILES: [B-](C[NH+](C)CC1=CC=CC=C1)(F)(F)F

PubChem CID 53243645
CAS 1268341-00-9
Molecular Weight (g/mol) 203.015
MDL Number MFCD20134169
SMILES [B-](C[NH+](C)CC1=CC=CC=C1)(F)(F)F
Synonym n-benzyl-n-methylammonium methyl trifluoroborate internal salt,benzyl methyl ammonio methyl trifluoroboranuide
IUPAC Name [benzyl(methyl)azaniumyl]methyl-trifluoroboranuide
InChI Key JRTRNQRZOUGDCI-UHFFFAOYSA-O
Molecular Formula C9H13BF3N
8

N-Desmethyl-N-benzyl Sildenafil, TRC

CAS: 1446089-82-2 Molecular Formula: C28 H34 N6 O4 S Molecular Weight (g/mol): 550.67 Synonym: 7H-Pyrazolo[4,3-d]pyrimidin-7-one, 5-[2-ethoxy-5-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]phenyl]-1,6-dihydro-1-methyl-3-propyl-,5-[2-Ethoxy-5-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]phenyl]-1,6-dihydro-1-methyl-3-propyl-7H-pyrazolo[4,3-d]pyrimidin-7-one,Benzyl Sildenafil,Sildenafil-N-benzyl IUPAC Name: 5-[5-(4-benzylpiperazin-1-yl)sulfonyl-2-ethoxyphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one SMILES: CCCc1nn(C)c2C(=O)NC(=Nc12)c3cc(ccc3OCC)S(=O)(=O)N4CCN(Cc5ccccc5)CC4

CAS 1446089-82-2
Molecular Weight (g/mol) 550.67
SMILES CCCc1nn(C)c2C(=O)NC(=Nc12)c3cc(ccc3OCC)S(=O)(=O)N4CCN(Cc5ccccc5)CC4
Synonym 7H-Pyrazolo[4,3-d]pyrimidin-7-one, 5-[2-ethoxy-5-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]phenyl]-1,6-dihydro-1-methyl-3-propyl-,5-[2-Ethoxy-5-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]phenyl]-1,6-dihydro-1-methyl-3-propyl-7H-pyrazolo[4,3-d]pyrimidin-7-one,Benzyl Sildenafil,Sildenafil-N-benzyl
IUPAC Name 5-[5-(4-benzylpiperazin-1-yl)sulfonyl-2-ethoxyphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
Molecular Formula C28 H34 N6 O4 S
9

N-Alkyl(C12-16)-N-Benzyl-N,N-Dimethylammonium Chloride (Technical Grade), TRC

CAS: 68424-85-1 Molecular Formula: C17H30ClN Molecular Weight (g/mol): 283.88 IUPAC Name: benzyl-dimethyl-tetradecylazanium;chloride SMILES: CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]

CAS 68424-85-1
Molecular Weight (g/mol) 283.88
SMILES CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
IUPAC Name benzyl-dimethyl-tetradecylazanium;chloride
Molecular Formula C17H30ClN
10

Benzyl Alcohol, 99%, Pure

CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1

EDGE
PubChem CID 244
CAS 100-51-6
Molecular Weight (g/mol) 108.14
ChEBI CHEBI:17987
MDL Number MFCD00004599,MFCD03792087
SMILES OCC1=CC=CC=C1
Synonym benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
IUPAC Name phenylmethanol
InChI Key WVDDGKGOMKODPV-UHFFFAOYSA-N
Molecular Formula C7H8O
11

Benzyl salicylate, 99%

CAS: 118-58-1 Molecular Formula: C14H12O3 Molecular Weight (g/mol): 228.247 MDL Number: MFCD00020034 InChI Key: ZCTQGTTXIYCGGC-UHFFFAOYSA-N Synonym: benzyl salicylate,benzyl o-hydroxybenzoate,salicylic acid, benzyl ester,benzoic acid, 2-hydroxy-, phenylmethyl ester,phenylmethyl 2-hydroxybenzoate,salicylic acid benzyl ester,salicyclic acid, benzyl ester,salicylsaeurebenzylester,unii-wao5mnk9tu,salicyclic acid benzyl ester PubChem CID: 8363 IUPAC Name: benzyl 2-hydroxybenzoate SMILES: C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2O

EDGE
PubChem CID 8363
CAS 118-58-1
Molecular Weight (g/mol) 228.247
MDL Number MFCD00020034
SMILES C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2O
Synonym benzyl salicylate,benzyl o-hydroxybenzoate,salicylic acid, benzyl ester,benzoic acid, 2-hydroxy-, phenylmethyl ester,phenylmethyl 2-hydroxybenzoate,salicylic acid benzyl ester,salicyclic acid, benzyl ester,salicylsaeurebenzylester,unii-wao5mnk9tu,salicyclic acid benzyl ester
IUPAC Name benzyl 2-hydroxybenzoate
InChI Key ZCTQGTTXIYCGGC-UHFFFAOYSA-N
Molecular Formula C14H12O3
12

Benzyl alcohol, 98+%, Extra Dry, AcroSeal™

CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1

EDGE
PubChem CID 244
CAS 100-51-6
Molecular Weight (g/mol) 108.14
ChEBI CHEBI:17987
MDL Number MFCD00004599,MFCD03792087
SMILES OCC1=CC=CC=C1
Synonym benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
IUPAC Name phenylmethanol
InChI Key WVDDGKGOMKODPV-UHFFFAOYSA-N
Molecular Formula C7H8O
13

Benzyl alcohol, for analysis

CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1

EDGE
PubChem CID 244
CAS 100-51-6
Molecular Weight (g/mol) 108.14
ChEBI CHEBI:17987
MDL Number MFCD00004599,MFCD03792087
SMILES OCC1=CC=CC=C1
Synonym benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
IUPAC Name phenylmethanol
InChI Key WVDDGKGOMKODPV-UHFFFAOYSA-N
Molecular Formula C7H8O
14

Benzyl alcohol, specified according to requirements of Ph.Eur.

CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1

EDGE
PubChem CID 244
CAS 100-51-6
Molecular Weight (g/mol) 108.14
ChEBI CHEBI:17987
MDL Number MFCD00004599,MFCD03792087
SMILES OCC1=CC=CC=C1
Synonym benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
IUPAC Name phenylmethanol
InChI Key WVDDGKGOMKODPV-UHFFFAOYSA-N
Molecular Formula C7H8O
15

N,N-Diethyl-m-toluamide, 98%

CAS: 134-62-3 Molecular Formula: C12H17NO Molecular Weight (g/mol): 191.27 MDL Number: MFCD00009046 InChI Key: MMOXZBCLCQITDF-UHFFFAOYSA-N Synonym: deet,n,n-diethyl-m-toluamide,diethyltoluamide,dieltamid,metadelphene,flypel,delphene,deta,detamide,autan PubChem CID: 4284 ChEBI: CHEBI:7071 IUPAC Name: N,N-diethyl-3-methylbenzamide SMILES: CCN(CC)C(=O)C1=CC(=CC=C1)C

EDGE
PubChem CID 4284
CAS 134-62-3
Molecular Weight (g/mol) 191.27
ChEBI CHEBI:7071
MDL Number MFCD00009046
SMILES CCN(CC)C(=O)C1=CC(=CC=C1)C
Synonym deet,n,n-diethyl-m-toluamide,diethyltoluamide,dieltamid,metadelphene,flypel,delphene,deta,detamide,autan
IUPAC Name N,N-diethyl-3-methylbenzamide
InChI Key MMOXZBCLCQITDF-UHFFFAOYSA-N
Molecular Formula C12H17NO