Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.

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6,361 – 6,375 of 159,118 results

6,361

4-Butoxybenzoic Acid 98.0+%, TCI America™

CAS: 1498-96-0 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00002546 InChI Key: LAUFPZPAKULAGB-UHFFFAOYSA-N Synonym: p-butoxybenzoic acid,4-n-butoxybenzoic acid,benzoic acid, 4-butoxy,benzoic acid, p-butoxy,p-butyloxybenzoic acid,4-butoxy-benzoic acid,4-butyloxybenzoic acid,p-n-butoxybenzoic acid,p-n-butyloxybenzoic acid,4-n-butyloxybenzoic acid PubChem CID: 72971 IUPAC Name: 4-butoxybenzoic acid SMILES: CCCCOC1=CC=C(C=C1)C(=O)O

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Specifications

PubChem CID	72971
CAS	1498-96-0
Molecular Weight (g/mol)	194.23
MDL Number	MFCD00002546
SMILES	CCCCOC1=CC=C(C=C1)C(=O)O
Synonym	p-butoxybenzoic acid,4-n-butoxybenzoic acid,benzoic acid, 4-butoxy,benzoic acid, p-butoxy,p-butyloxybenzoic acid,4-butoxy-benzoic acid,4-butyloxybenzoic acid,p-n-butoxybenzoic acid,p-n-butyloxybenzoic acid,4-n-butyloxybenzoic acid
IUPAC Name	4-butoxybenzoic acid
InChI Key	LAUFPZPAKULAGB-UHFFFAOYSA-N
Molecular Formula	C11H14O3

6,362

3-Benzyloxyaniline 98.0+%, TCI America™

CAS: 1484-26-0 Molecular Formula: C13H13NO Molecular Weight (g/mol): 199.253 MDL Number: MFCD00007784 InChI Key: IGPFOKFDBICQMC-UHFFFAOYSA-N Synonym: 3-benzyloxyaniline,3-benzyloxy aniline,benzenamine, 3-phenylmethoxy,unii-iab1vda972,3-benzyloxy-phenylamine,iab1vda972,3-phenylmethyl oxy aniline,3-phenylmethoxy phenylamine,3-benzyloxy benzenamine,3-benyloxyaniline PubChem CID: 92892 IUPAC Name: 3-phenylmethoxyaniline SMILES: C1=CC=C(C=C1)COC2=CC=CC(=C2)N

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Specifications

PubChem CID	92892
CAS	1484-26-0
Molecular Weight (g/mol)	199.253
MDL Number	MFCD00007784
SMILES	C1=CC=C(C=C1)COC2=CC=CC(=C2)N
Synonym	3-benzyloxyaniline,3-benzyloxy aniline,benzenamine, 3-phenylmethoxy,unii-iab1vda972,3-benzyloxy-phenylamine,iab1vda972,3-phenylmethyl oxy aniline,3-phenylmethoxy phenylamine,3-benzyloxy benzenamine,3-benyloxyaniline
IUPAC Name	3-phenylmethoxyaniline
InChI Key	IGPFOKFDBICQMC-UHFFFAOYSA-N
Molecular Formula	C13H13NO

6,363

Phenyl Trifluoromethanesulfonate 98.0+%, TCI America™

CAS: 17763-67-6 Molecular Formula: C7H5F3O3S Molecular Weight (g/mol): 226.169 MDL Number: MFCD00192399 InChI Key: GRJHONXDTNBDTC-UHFFFAOYSA-N Synonym: Trifluoromethanesulfonic Acid Phenyl Ester, Phenyl Triflate PubChem CID: 548641 IUPAC Name: phenyl trifluoromethanesulfonate SMILES: C1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F

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Specifications

PubChem CID	548641
CAS	17763-67-6
Molecular Weight (g/mol)	226.169
MDL Number	MFCD00192399
SMILES	C1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F
Synonym	Trifluoromethanesulfonic Acid Phenyl Ester, Phenyl Triflate
IUPAC Name	phenyl trifluoromethanesulfonate
InChI Key	GRJHONXDTNBDTC-UHFFFAOYSA-N
Molecular Formula	C7H5F3O3S

6,364

4-(4-Phenylbutoxy)benzoic Acid 98.0+%, TCI America™

CAS: 30131-16-9 Molecular Formula: C17H18O3 Molecular Weight (g/mol): 270.33 MDL Number: MFCD07787608 InChI Key: XWCWFMQMZZPALR-UHFFFAOYSA-N PubChem CID: 11043825 IUPAC Name: 4-(4-phenylbutoxy)benzoic acid SMILES: OC(=O)C1=CC=C(OCCCCC2=CC=CC=C2)C=C1

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Specifications

PubChem CID	11043825
CAS	30131-16-9
Molecular Weight (g/mol)	270.33
MDL Number	MFCD07787608
SMILES	OC(=O)C1=CC=C(OCCCCC2=CC=CC=C2)C=C1
IUPAC Name	4-(4-phenylbutoxy)benzoic acid
InChI Key	XWCWFMQMZZPALR-UHFFFAOYSA-N
Molecular Formula	C17H18O3

6,365

N-Benzyldiethanolamine 98.0+%, TCI America™

CAS: 101-32-6 Molecular Formula: C11H17NO2 Molecular Weight (g/mol): 195.262 MDL Number: MFCD00020587 InChI Key: MIZIOHLLYXVEHJ-UHFFFAOYSA-N Synonym: 2,2′C-(Benzylimino)diethanol, N,N-Bis(2-hydroxyethyl)benzylamine PubChem CID: 7553 IUPAC Name: 2-[benzyl(2-hydroxyethyl)amino]ethanol SMILES: C1=CC=C(C=C1)CN(CCO)CCO

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Specifications

PubChem CID	7553
CAS	101-32-6
Molecular Weight (g/mol)	195.262
MDL Number	MFCD00020587
SMILES	C1=CC=C(C=C1)CN(CCO)CCO
Synonym	2,2′C-(Benzylimino)diethanol, N,N-Bis(2-hydroxyethyl)benzylamine
IUPAC Name	2-[benzyl(2-hydroxyethyl)amino]ethanol
InChI Key	MIZIOHLLYXVEHJ-UHFFFAOYSA-N
Molecular Formula	C11H17NO2

6,366

3-Chlorobenzylamine 98.0+%, TCI America™

CAS: 4152-90-3 Molecular Formula: C7H8ClN Molecular Weight (g/mol): 141.598 MDL Number: MFCD00040752 InChI Key: BJFPYGGTDAYECS-UHFFFAOYSA-N Synonym: 3-chlorobenzylamine,3-chlorophenyl methanamine,benzenemethanamine, 3-chloro,1-3-chlorophenyl methanamine,m-chlorobenzylamine,3-chloro-benzylamine,m-chlorobenzyl amine,3-chlorophenyl methylamine,chembl12957,c2a PubChem CID: 77802 IUPAC Name: (3-chlorophenyl)methanamine SMILES: C1=CC(=CC(=C1)Cl)CN

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Specifications

PubChem CID	77802
CAS	4152-90-3
Molecular Weight (g/mol)	141.598
MDL Number	MFCD00040752
SMILES	C1=CC(=CC(=C1)Cl)CN
Synonym	3-chlorobenzylamine,3-chlorophenyl methanamine,benzenemethanamine, 3-chloro,1-3-chlorophenyl methanamine,m-chlorobenzylamine,3-chloro-benzylamine,m-chlorobenzyl amine,3-chlorophenyl methylamine,chembl12957,c2a
IUPAC Name	(3-chlorophenyl)methanamine
InChI Key	BJFPYGGTDAYECS-UHFFFAOYSA-N
Molecular Formula	C7H8ClN

6,367

3,4-Difluorobenzylamine 98.0+%, TCI America™

CAS: 72235-53-1 Molecular Formula: C7H7F2N Molecular Weight (g/mol): 143.137 MDL Number: MFCD00010145 InChI Key: PHLZUDXEBCQHKM-UHFFFAOYSA-N Synonym: 3,4-difluorobenzylamine,3,4-difluorophenyl methanamine,3,4-difluorobenzyl amine,benzenemethanamine, 3,4-difluoro,1-3,4-difluorophenyl methanamine,3,4-difluorophenyl methylamine,3, 4-difluorobenzylamine,pubchem1918,acmc-209omb,3,4-difluoro-benzylamine 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)	143.137
MDL Number	MFCD00010145
SMILES	C1=CC(=C(C=C1CN)F)F
Synonym	3,4-difluorobenzylamine,3,4-difluorophenyl methanamine,3,4-difluorobenzyl amine,benzenemethanamine, 3,4-difluoro,1-3,4-difluorophenyl methanamine,3,4-difluorophenyl methylamine,3, 4-difluorobenzylamine,pubchem1918,acmc-209omb,3,4-difluoro-benzylamine
IUPAC Name	(3,4-difluorophenyl)methanamine
InChI Key	PHLZUDXEBCQHKM-UHFFFAOYSA-N
Molecular Formula	C7H7F2N

6,368

3-(Methylaminomethyl)benzonitrile 98.0+%, TCI America™

CAS: 90389-96-1 Molecular Formula: C9H10N2 Molecular Weight (g/mol): 146.19 MDL Number: MFCD09731650 InChI Key: KBRCDVSFCMVQSN-UHFFFAOYSA-N Synonym: 3-methylamino methyl benzonitrile,3-methylaminomethyl benzonitrile,3-methylaminomethyl-benzonitrile,benzonitrile, 3-methylamino methyl,3-methylamino methyl-benzonitrile,3-cyano-n-methylbenzylamine,n-methyl-n-3-cyanobenzyl amine PubChem CID: 457595 IUPAC Name: 3-[(methylamino)methyl]benzonitrile SMILES: CNCC1=CC=CC(=C1)C#N

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Specifications

PubChem CID	457595
CAS	90389-96-1
Molecular Weight (g/mol)	146.19
MDL Number	MFCD09731650
SMILES	CNCC1=CC=CC(=C1)C#N
Synonym	3-methylamino methyl benzonitrile,3-methylaminomethyl benzonitrile,3-methylaminomethyl-benzonitrile,benzonitrile, 3-methylamino methyl,3-methylamino methyl-benzonitrile,3-cyano-n-methylbenzylamine,n-methyl-n-3-cyanobenzyl amine
IUPAC Name	3-[(methylamino)methyl]benzonitrile
InChI Key	KBRCDVSFCMVQSN-UHFFFAOYSA-N
Molecular Formula	C9H10N2

6,369

Benzyltriethylammonium Bromide 98.0+%, TCI America™

CAS: 5197-95-5 Molecular Formula: C13H22BrN Molecular Weight (g/mol): 272.23 MDL Number: MFCD00011822 InChI Key: CHQVQXZFZHACQQ-UHFFFAOYSA-M Synonym: benzyltriethylammonium bromide,n-benzyl-n,n-diethylethanaminium bromide,benzyl triethyl ammonium bromide,triethylbenzylammonium bromide,bteab,benzenemethanaminium, n,n,n-triethyl-, bromide,benzyltriethyl ammonium bromide,n-benzyl-n,n,n-triethylammoniumbromide,benzyltriethylazanium bromide,pubchem7797 PubChem CID: 165294 IUPAC Name: benzyltriethylazanium bromide SMILES: [Br-].CC[N+](CC)(CC)CC1=CC=CC=C1

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Specifications

PubChem CID	165294
CAS	5197-95-5
Molecular Weight (g/mol)	272.23
MDL Number	MFCD00011822
SMILES	[Br-].CC[N+](CC)(CC)CC1=CC=CC=C1
Synonym	benzyltriethylammonium bromide,n-benzyl-n,n-diethylethanaminium bromide,benzyl triethyl ammonium bromide,triethylbenzylammonium bromide,bteab,benzenemethanaminium, n,n,n-triethyl-, bromide,benzyltriethyl ammonium bromide,n-benzyl-n,n,n-triethylammoniumbromide,benzyltriethylazanium bromide,pubchem7797
IUPAC Name	benzyltriethylazanium bromide
InChI Key	CHQVQXZFZHACQQ-UHFFFAOYSA-M
Molecular Formula	C13H22BrN

6,370

3-Aminobenzylamine 98.0+%, TCI America™

CAS: 4403-70-7 Molecular Formula: C7H10N2 Molecular Weight (g/mol): 122.17 MDL Number: MFCD00078355 InChI Key: ZDBWYUOUYNQZBM-UHFFFAOYSA-N Synonym: 3-aminobenzylamine,3-aminomethyl aniline,m-aminobenzylamine,benzenemethanamine, 3-amino,3-aminomethyl-aniline,pubchem5802,alpha-amino-m-toluidine,3-aminomethyl phenylamine,3-aminophenyl methylamine PubChem CID: 4628831 IUPAC Name: 3-(aminomethyl)aniline SMILES: NCC1=CC(N)=CC=C1

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Specifications

PubChem CID	4628831
CAS	4403-70-7
Molecular Weight (g/mol)	122.17
MDL Number	MFCD00078355
SMILES	NCC1=CC(N)=CC=C1
Synonym	3-aminobenzylamine,3-aminomethyl aniline,m-aminobenzylamine,benzenemethanamine, 3-amino,3-aminomethyl-aniline,pubchem5802,alpha-amino-m-toluidine,3-aminomethyl phenylamine,3-aminophenyl methylamine
IUPAC Name	3-(aminomethyl)aniline
InChI Key	ZDBWYUOUYNQZBM-UHFFFAOYSA-N
Molecular Formula	C7H10N2

6,371

3-Methylbenzylamine 97.0+%, TCI America™

CAS: 100-81-2 Molecular Formula: C8H11N Molecular Weight (g/mol): 121.183 MDL Number: MFCD00008118 InChI Key: RGXUCUWVGKLACF-UHFFFAOYSA-N Synonym: 3-methylbenzylamine,m-tolylmethanamine,3-methylphenyl methanamine,benzenemethanamine, 3-methyl,m-methylbenzylamine,1-3-methylphenyl methanamine,3-methylbenzyl amine,alpha-amino-m-xylene,benzylamine, m-methyl,m-xylylamine PubChem CID: 66015 IUPAC Name: (3-methylphenyl)methanamine SMILES: CC1=CC(=CC=C1)CN

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Specifications

PubChem CID	66015
CAS	100-81-2
Molecular Weight (g/mol)	121.183
MDL Number	MFCD00008118
SMILES	CC1=CC(=CC=C1)CN
Synonym	3-methylbenzylamine,m-tolylmethanamine,3-methylphenyl methanamine,benzenemethanamine, 3-methyl,m-methylbenzylamine,1-3-methylphenyl methanamine,3-methylbenzyl amine,alpha-amino-m-xylene,benzylamine, m-methyl,m-xylylamine
IUPAC Name	(3-methylphenyl)methanamine
InChI Key	RGXUCUWVGKLACF-UHFFFAOYSA-N
Molecular Formula	C8H11N

6,372

Phenoxybenzamine Hydrochloride 98.0+%, TCI America™

CAS: 63-92-3 Molecular Formula: C18H23Cl2NO Molecular Weight (g/mol): 340.288 MDL Number: MFCD00055152 InChI Key: VBCPVIWPDJVHAN-UHFFFAOYSA-N Synonym: phenoxybenzamine hydrochloride,dibenzyline,phenoxybenzamine hcl,n-benzyl-n-2-chloroethyl-1-phenoxypropan-2-amine hydrochloride,dibenzyline hydrochloride,phenoxybenzamine.hcl,bensylyt nen,phenoxybenzamine chloride,benzene methanamine PubChem CID: 5284441 ChEBI: CHEBI:8078 IUPAC Name: N-benzyl-N-(2-chloroethyl)-1-phenoxypropan-2-amine;hydrochloride SMILES: CC(COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2.Cl

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Specifications

PubChem CID	5284441
CAS	63-92-3
Molecular Weight (g/mol)	340.288
ChEBI	CHEBI:8078
MDL Number	MFCD00055152
SMILES	CC(COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2.Cl
Synonym	phenoxybenzamine hydrochloride,dibenzyline,phenoxybenzamine hcl,n-benzyl-n-2-chloroethyl-1-phenoxypropan-2-amine hydrochloride,dibenzyline hydrochloride,phenoxybenzamine.hcl,bensylyt nen,phenoxybenzamine chloride,benzene methanamine
IUPAC Name	N-benzyl-N-(2-chloroethyl)-1-phenoxypropan-2-amine;hydrochloride
InChI Key	VBCPVIWPDJVHAN-UHFFFAOYSA-N
Molecular Formula	C18H23Cl2NO

6,373

Tribenzylamine 99.0+%, TCI America™

CAS: 620-40-6 Molecular Formula: C21H21N Molecular Weight (g/mol): 287.41 MDL Number: MFCD00004773 InChI Key: MXHTZQSKTCCMFG-UHFFFAOYSA-N Synonym: tribenzylamine,benzenemethanamine, n,n-bis phenylmethyl,unii-hz10o1931j,trisbenzylamine,n,n-dibenzyl-1-phenyl-methanamine,pubchem21076,acmc-1atok,dsstox_cid_27031,dsstox_rid_82052 PubChem CID: 24321 IUPAC Name: tribenzylamine SMILES: C(N(CC1=CC=CC=C1)CC1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	24321
CAS	620-40-6
Molecular Weight (g/mol)	287.41
MDL Number	MFCD00004773
SMILES	C(N(CC1=CC=CC=C1)CC1=CC=CC=C1)C1=CC=CC=C1
Synonym	tribenzylamine,benzenemethanamine, n,n-bis phenylmethyl,unii-hz10o1931j,trisbenzylamine,n,n-dibenzyl-1-phenyl-methanamine,pubchem21076,acmc-1atok,dsstox_cid_27031,dsstox_rid_82052
IUPAC Name	tribenzylamine
InChI Key	MXHTZQSKTCCMFG-UHFFFAOYSA-N
Molecular Formula	C21H21N

6,374

N,N'-Dibenzylethylenediamine 98.0+%, TCI America™

CAS: 140-28-3 Molecular Formula: C16H20N2 Molecular Weight (g/mol): 240.35 MDL Number: MFCD00004771 InChI Key: JUHORIMYRDESRB-UHFFFAOYSA-N Synonym: n,n'-dibenzylethylenediamine,benzathine,dbed,benzatin,n1,n2-dibenzylethane-1,2-diamine,1,2-bis benzylamino ethane,1,2-ethanediamine, n,n'-bis phenylmethyl,usaf do-53,unii-c659vz7p7t,ethylenediamine, n,n'-dibenzyl PubChem CID: 8793 ChEBI: CHEBI:51344 IUPAC Name: N,N'-dibenzylethane-1,2-diamine SMILES: C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2

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Specifications

PubChem CID	8793
CAS	140-28-3
Molecular Weight (g/mol)	240.35
ChEBI	CHEBI:51344
MDL Number	MFCD00004771
SMILES	C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2
Synonym	n,n'-dibenzylethylenediamine,benzathine,dbed,benzatin,n1,n2-dibenzylethane-1,2-diamine,1,2-bis benzylamino ethane,1,2-ethanediamine, n,n'-bis phenylmethyl,usaf do-53,unii-c659vz7p7t,ethylenediamine, n,n'-dibenzyl
IUPAC Name	N,N'-dibenzylethane-1,2-diamine
InChI Key	JUHORIMYRDESRB-UHFFFAOYSA-N
Molecular Formula	C16H20N2

6,375

1-(4-Chlorobenzyl)piperazine 98.0+%, TCI America™

CAS: 23145-88-2 Molecular Formula: C11H15ClN2 Molecular Weight (g/mol): 210.705 MDL Number: MFCD00040791 InChI Key: GSJXJZOWHSTWOX-UHFFFAOYSA-N Synonym: 1-4-chlorobenzyl piperazine,1-4-chlorophenyl methyl piperazine,4-chlorobenzylpiperazine,1-4-chlorobenzyl-piperazine,1-4-chloro-benzyl-piperazine,1-4-chloro benzyl piperazine,n-4-chlorobenzyl piperazine,4-chlorophenyl methyl piperazine,norhomochlorcyclizine,chlorobenzylpiperazin PubChem CID: 134826 IUPAC Name: 1-[(4-chlorophenyl)methyl]piperazine SMILES: C1CN(CCN1)CC2=CC=C(C=C2)Cl

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Specifications

PubChem CID	134826
CAS	23145-88-2
Molecular Weight (g/mol)	210.705
MDL Number	MFCD00040791
SMILES	C1CN(CCN1)CC2=CC=C(C=C2)Cl
Synonym	1-4-chlorobenzyl piperazine,1-4-chlorophenyl methyl piperazine,4-chlorobenzylpiperazine,1-4-chlorobenzyl-piperazine,1-4-chloro-benzyl-piperazine,1-4-chloro benzyl piperazine,n-4-chlorobenzyl piperazine,4-chlorophenyl methyl piperazine,norhomochlorcyclizine,chlorobenzylpiperazin
IUPAC Name	1-[(4-chlorophenyl)methyl]piperazine
InChI Key	GSJXJZOWHSTWOX-UHFFFAOYSA-N
Molecular Formula	C11H15ClN2

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