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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5,671 – 5,685 of 57,279 results

5,671

4-[(4-Methyl-1-piperazinyl)methyl]benzoic Acid Dihydrochloride 98.0+%, TCI America™

CAS: 106261-49-8 Molecular Formula: C13H20Cl2N2O2 Molecular Weight (g/mol): 307.215 MDL Number: MFCD07772867 InChI Key: ISHROKOWRJDOSN-UHFFFAOYSA-N Synonym: 4-4-methylpiperazin-1-yl methyl benzoic acid dihydrochloride,4-4-methyl-1-piperazinyl methyl benzoic acid dihydrochloride,4-4-methylpiperazin-1-yl methyl,4-4-methylpiperazinomethyl benzoic acid dihydrochloride,benzoic acid, 4-4-methyl-1-piperazinyl methyl-, dihydrochloride,zlchem 396,ksc909c2h,4-4-methyl piperazino methyl benzoic acid 2hcl,4-4-methylpiperazin-1-yl methyl benzoic acid dih PubChem CID: 10335346 IUPAC Name: 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid;dihydrochloride SMILES: CN1CCN(CC1)CC2=CC=C(C=C2)C(=O)O.Cl.Cl

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Specifications

PubChem CID	10335346
CAS	106261-49-8
Molecular Weight (g/mol)	307.215
MDL Number	MFCD07772867
SMILES	CN1CCN(CC1)CC2=CC=C(C=C2)C(=O)O.Cl.Cl
Synonym	4-4-methylpiperazin-1-yl methyl benzoic acid dihydrochloride,4-4-methyl-1-piperazinyl methyl benzoic acid dihydrochloride,4-4-methylpiperazin-1-yl methyl,4-4-methylpiperazinomethyl benzoic acid dihydrochloride,benzoic acid, 4-4-methyl-1-piperazinyl methyl-, dihydrochloride,zlchem 396,ksc909c2h,4-4-methyl piperazino methyl benzoic acid 2hcl,4-4-methylpiperazin-1-yl methyl benzoic acid dih
IUPAC Name	4-[(4-methylpiperazin-1-yl)methyl]benzoic acid;dihydrochloride
InChI Key	ISHROKOWRJDOSN-UHFFFAOYSA-N
Molecular Formula	C13H20Cl2N2O2

5,672

Methyl 4-(Aminomethyl)benzoate Hydrochloride 98.0+%, TCI America™

CAS: 6232-11-7 Molecular Formula: C9H12ClNO2 Molecular Weight (g/mol): 201.65 MDL Number: MFCD00182671 InChI Key: GIZCKBSSWNIUMZ-UHFFFAOYSA-N Synonym: methyl 4-aminomethyl benzoate hydrochloride,methyl 4-aminomethylbenzoate hydrochloride,methyl-4-aminomethyl benzoate hydrochloride,methyl 4-aminomethylbenzoate hcl,methyl 4-aminomethyl benzoate, hcl,4-aminomethyl benzoic acid methyl ester hydrochloride,methyl4-aminomethyl benzoatehydrochloride,methyl 4-aminomethyl-benzoate hydrochloride,4-aminomethyl benzoic acid methyl ester hcl,4-aminomethylbenzoic acid methyl ester hydrochloride PubChem CID: 2729253 IUPAC Name: methyl 4-(aminomethyl)benzoate;hydrochloride SMILES: COC(=O)C1=CC=C(C=C1)CN.Cl

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Specifications

PubChem CID	2729253
CAS	6232-11-7
Molecular Weight (g/mol)	201.65
MDL Number	MFCD00182671
SMILES	COC(=O)C1=CC=C(C=C1)CN.Cl
Synonym	methyl 4-aminomethyl benzoate hydrochloride,methyl 4-aminomethylbenzoate hydrochloride,methyl-4-aminomethyl benzoate hydrochloride,methyl 4-aminomethylbenzoate hcl,methyl 4-aminomethyl benzoate, hcl,4-aminomethyl benzoic acid methyl ester hydrochloride,methyl4-aminomethyl benzoatehydrochloride,methyl 4-aminomethyl-benzoate hydrochloride,4-aminomethyl benzoic acid methyl ester hcl,4-aminomethylbenzoic acid methyl ester hydrochloride
IUPAC Name	methyl 4-(aminomethyl)benzoate;hydrochloride
InChI Key	GIZCKBSSWNIUMZ-UHFFFAOYSA-N
Molecular Formula	C9H12ClNO2

5,673

Citalopram Hydrobromide 98.0+%, TCI America™

CAS: 59729-32-7 Molecular Formula: C20H22BrFN2O Molecular Weight (g/mol): 405.311 MDL Number: MFCD02101306 InChI Key: WIHMBLDNRMIGDW-UHFFFAOYSA-N Synonym: citalopram hydrobromide,citalopram hbr,cipramil,celexa,1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydroisobenzofuran-5-carbonitrile hydrobromide,elopram,seropram,1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydro-5-isobenzofurancarbonitrile hydrobromide,citalopram hydrobromide usan PubChem CID: 77995 IUPAC Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide SMILES: CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.Br

Pricing & Availability
Specifications

PubChem CID	77995
CAS	59729-32-7
Molecular Weight (g/mol)	405.311
MDL Number	MFCD02101306
SMILES	CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.Br
Synonym	citalopram hydrobromide,citalopram hbr,cipramil,celexa,1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydroisobenzofuran-5-carbonitrile hydrobromide,elopram,seropram,1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydro-5-isobenzofurancarbonitrile hydrobromide,citalopram hydrobromide usan
IUPAC Name	1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide
InChI Key	WIHMBLDNRMIGDW-UHFFFAOYSA-N
Molecular Formula	C20H22BrFN2O

5,674

4-Phenylbutylamine 98.0+%, TCI America™

CAS: 13214-66-9 Molecular Formula: C10H15N Molecular Weight (g/mol): 149.237 MDL Number: MFCD00008231 InChI Key: AGNFWIZBEATIAK-UHFFFAOYSA-N Synonym: 1-Amino-4-phenylbutane PubChem CID: 83242 IUPAC Name: 4-phenylbutan-1-amine SMILES: C1=CC=C(C=C1)CCCCN

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Specifications

PubChem CID	83242
CAS	13214-66-9
Molecular Weight (g/mol)	149.237
MDL Number	MFCD00008231
SMILES	C1=CC=C(C=C1)CCCCN
Synonym	1-Amino-4-phenylbutane
IUPAC Name	4-phenylbutan-1-amine
InChI Key	AGNFWIZBEATIAK-UHFFFAOYSA-N
Molecular Formula	C10H15N

5,675

Mubritinib 98.0+%, TCI America™

CAS: 366017-09-6 Molecular Formula: C25H23F3N4O2 Molecular Weight (g/mol): 468.48 MDL Number: MFCD09954135 InChI Key: ZTFBIUXIQYRUNT-MDWZMJQESA-N Synonym: (E)-4-[[4-[4-(1H-1,2,3-Triazol-1-yl)butyl]phenoxy]methyl]-2-[4-(trifluoromethyl)styryl]oxazole, TAK 165 PubChem CID: 6444692 IUPAC Name: 4-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole SMILES: C1=CC(=CC=C1CCCCN2C=CN=N2)OCC3=COC(=N3)C=CC4=CC=C(C=C4)C(F)(F)F

Pricing & Availability
Specifications

PubChem CID	6444692
CAS	366017-09-6
Molecular Weight (g/mol)	468.48
MDL Number	MFCD09954135
SMILES	C1=CC(=CC=C1CCCCN2C=CN=N2)OCC3=COC(=N3)C=CC4=CC=C(C=C4)C(F)(F)F
Synonym	(E)-4-[[4-[4-(1H-1,2,3-Triazol-1-yl)butyl]phenoxy]methyl]-2-[4-(trifluoromethyl)styryl]oxazole, TAK 165
IUPAC Name	4-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole
InChI Key	ZTFBIUXIQYRUNT-MDWZMJQESA-N
Molecular Formula	C25H23F3N4O2

5,676

Butoconazole Nitrate 98.0+%, TCI America™

CAS: 64872-77-1 Molecular Formula: C19H18Cl3N3O3S Molecular Weight (g/mol): 474.781 MDL Number: MFCD00058159 InChI Key: ZHPWRQIPPNZNML-UHFFFAOYSA-N Synonym: 1-[4-(4-Chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]imidazole Nitrate PubChem CID: 47471 ChEBI: CHEBI:3241 IUPAC Name: 1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)sulfanylbutyl]imidazole;nitric acid SMILES: C1=CC(=C(C(=C1)Cl)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)Cl.[N+](=O)(O)[O-]

Pricing & Availability
Specifications

PubChem CID	47471
CAS	64872-77-1
Molecular Weight (g/mol)	474.781
ChEBI	CHEBI:3241
MDL Number	MFCD00058159
SMILES	C1=CC(=C(C(=C1)Cl)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)Cl.[N+](=O)(O)[O-]
Synonym	1-[4-(4-Chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]imidazole Nitrate
IUPAC Name	1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)sulfanylbutyl]imidazole;nitric acid
InChI Key	ZHPWRQIPPNZNML-UHFFFAOYSA-N
Molecular Formula	C19H18Cl3N3O3S

5,677

Verapamil Hydrochloride 98.0+%, TCI America™

CAS: 152-11-4 Molecular Formula: C27H39ClN2O4 Molecular Weight (g/mol): 491.069 MDL Number: MFCD00055208 InChI Key: DOQPXTMNIUCOSY-UHFFFAOYSA-N Synonym: verapamil hydrochloride,verapamil hcl,manidon,calcan hydrochloride,cardibeltin,cardiabeltin,cardioprotect,veroptinstada,calaptin,caveril PubChem CID: 62969 IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride SMILES: CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl

Pricing & Availability
Specifications

PubChem CID	62969
CAS	152-11-4
Molecular Weight (g/mol)	491.069
MDL Number	MFCD00055208
SMILES	CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl
Synonym	verapamil hydrochloride,verapamil hcl,manidon,calcan hydrochloride,cardibeltin,cardiabeltin,cardioprotect,veroptinstada,calaptin,caveril
IUPAC Name	2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride
InChI Key	DOQPXTMNIUCOSY-UHFFFAOYSA-N
Molecular Formula	C27H39ClN2O4

5,678

4-Phenylbutylamine Hydrochloride 98.0+%, TCI America™

CAS: 30684-06-1 Molecular Formula: C10H16ClN Molecular Weight (g/mol): 185.695 MDL Number: MFCD03093616 InChI Key: DGDORWAJHREUEO-UHFFFAOYSA-N Synonym: 1-Amino-4-phenylbutane Hydrochloride PubChem CID: 44630065 IUPAC Name: 4-phenylbutan-1-amine;hydrochloride SMILES: C1=CC=C(C=C1)CCCCN.Cl

Pricing & Availability
Specifications

PubChem CID	44630065
CAS	30684-06-1
Molecular Weight (g/mol)	185.695
MDL Number	MFCD03093616
SMILES	C1=CC=C(C=C1)CCCCN.Cl
Synonym	1-Amino-4-phenylbutane Hydrochloride
IUPAC Name	4-phenylbutan-1-amine;hydrochloride
InChI Key	DGDORWAJHREUEO-UHFFFAOYSA-N
Molecular Formula	C10H16ClN

5,679

(S)-Citalopram Oxalate 98.0+%, TCI America™

CAS: 219861-08-2 Molecular Formula: C22H23FN2O5 Molecular Weight (g/mol): 414.433 MDL Number: MFCD06407826 InChI Key: KTGRHKOEFSJQNS-BDQAORGHSA-N Synonym: escitalopram oxalate,lexapro,cipralex,s-citalopram oxalate,citalopram oxalate,unii-5u85dbw7lo,5u85dbw7lo,s-+-citalopram oxalate,s-1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydroisobenzofuran-5-carbonitrile oxalate PubChem CID: 146571 IUPAC Name: (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;oxalic acid SMILES: CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

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Specifications

PubChem CID	146571
CAS	219861-08-2
Molecular Weight (g/mol)	414.433
MDL Number	MFCD06407826
SMILES	CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O
Synonym	escitalopram oxalate,lexapro,cipralex,s-citalopram oxalate,citalopram oxalate,unii-5u85dbw7lo,5u85dbw7lo,s-+-citalopram oxalate,s-1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydroisobenzofuran-5-carbonitrile oxalate
IUPAC Name	(1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;oxalic acid
InChI Key	KTGRHKOEFSJQNS-BDQAORGHSA-N
Molecular Formula	C22H23FN2O5

5,680

2-Hydroxy-N-methylbenzylamine Hydrochloride 98.0+%, TCI America™

CAS: 60399-02-2 Molecular Formula: C8H12ClNO Molecular Weight (g/mol): 173.64 MDL Number: MFCD00142934 InChI Key: UDXXNWDSBJINMV-UHFFFAOYSA-N Synonym: alpha-Methylamino-o-cresol Hydrochloride, 2-(Methylaminomethyl)phenol Hydrochloride, N-Methyl-2-hydroxybenzylamine Hydrochloride PubChem CID: 44630388 IUPAC Name: 2-(methylaminomethyl)phenol;hydrochloride SMILES: CNCC1=CC=CC=C1O.Cl

Pricing & Availability
Specifications

PubChem CID	44630388
CAS	60399-02-2
Molecular Weight (g/mol)	173.64
MDL Number	MFCD00142934
SMILES	CNCC1=CC=CC=C1O.Cl
Synonym	alpha-Methylamino-o-cresol Hydrochloride, 2-(Methylaminomethyl)phenol Hydrochloride, N-Methyl-2-hydroxybenzylamine Hydrochloride
IUPAC Name	2-(methylaminomethyl)phenol;hydrochloride
InChI Key	UDXXNWDSBJINMV-UHFFFAOYSA-N
Molecular Formula	C8H12ClNO

5,681

2,2,4,4,6,8,8-Heptamethylnonane 97.0+%, TCI America™

CAS: 4390-04-9 Molecular Formula: C16H34 Molecular Weight (g/mol): 226.45 MDL Number: MFCD00008856 InChI Key: VCLJODPNBNEBKW-UHFFFAOYNA-N Synonym: isocetane,nonane, 2,2,4,4,6,8,8-heptamethyl,cyprane,pubchem16042,acmc-2097fb,dsstox_cid_30668,dsstox_gsid_52101,ksc492g9j,2,4,4,6,8,8-heptamethylnonane,nonane,2,4,4,6,8,8-heptamethyl PubChem CID: 20414 IUPAC Name: 2,2,4,4,6,8,8-heptamethylnonane SMILES: CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C

Pricing & Availability
Specifications

PubChem CID	20414
CAS	4390-04-9
Molecular Weight (g/mol)	226.45
MDL Number	MFCD00008856
SMILES	CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C
Synonym	isocetane,nonane, 2,2,4,4,6,8,8-heptamethyl,cyprane,pubchem16042,acmc-2097fb,dsstox_cid_30668,dsstox_gsid_52101,ksc492g9j,2,4,4,6,8,8-heptamethylnonane,nonane,2,4,4,6,8,8-heptamethyl
IUPAC Name	2,2,4,4,6,8,8-heptamethylnonane
InChI Key	VCLJODPNBNEBKW-UHFFFAOYNA-N
Molecular Formula	C16H34

5,682

2,6-Difluorobenzylamine 98.0+%, TCI America™

CAS: 69385-30-4 Molecular Formula: C7H8F2N Molecular Weight (g/mol): 144.14 MDL Number: MFCD00010144 InChI Key: PQCUDKMMPTXMAL-UHFFFAOYSA-O PubChem CID: 123563 IUPAC Name: (2,6-difluorophenyl)methanaminium SMILES: [NH3+]CC1=C(F)C=CC=C1F

Pricing & Availability
Specifications

PubChem CID	123563
CAS	69385-30-4
Molecular Weight (g/mol)	144.14
MDL Number	MFCD00010144
SMILES	[NH3+]CC1=C(F)C=CC=C1F
IUPAC Name	(2,6-difluorophenyl)methanaminium
InChI Key	PQCUDKMMPTXMAL-UHFFFAOYSA-O
Molecular Formula	C7H8F2N

5,683

2-Fluorobenzylamine 98.0+%, TCI America™

CAS: 89-99-6 Molecular Formula: C7H8FN Molecular Weight (g/mol): 125.146 InChI Key: LRFWYBZWRQWZIM-UHFFFAOYSA-N Synonym: 2-fluorobenzylamine,2-fluorophenyl methanamine,benzenemethanamine, 2-fluoro,o-fluorobenzylamine,benzylamine, o-fluoro,1-2-fluorophenyl methanamine,2-fluoro-benzylamine,2-fluorobenzyl amine,2-fluorophenyl methylamine,o-fluorobenzyl amine PubChem CID: 66649 IUPAC Name: (2-fluorophenyl)methanamine SMILES: C1=CC=C(C(=C1)CN)F

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Specifications

PubChem CID	66649
CAS	89-99-6
Molecular Weight (g/mol)	125.146
SMILES	C1=CC=C(C(=C1)CN)F
Synonym	2-fluorobenzylamine,2-fluorophenyl methanamine,benzenemethanamine, 2-fluoro,o-fluorobenzylamine,benzylamine, o-fluoro,1-2-fluorophenyl methanamine,2-fluoro-benzylamine,2-fluorobenzyl amine,2-fluorophenyl methylamine,o-fluorobenzyl amine
IUPAC Name	(2-fluorophenyl)methanamine
InChI Key	LRFWYBZWRQWZIM-UHFFFAOYSA-N
Molecular Formula	C7H8FN

5,684

5-Chloro-2-fluorobenzylamine 97.0+%, TCI America™

CAS: 261723-26-6 Molecular Formula: C7H7ClFN Molecular Weight (g/mol): 159.59 MDL Number: MFCD01631440 InChI Key: BFLBLJKULFDOTN-UHFFFAOYSA-N Synonym: 5-chloro-2-fluorobenzylamine,5-chloro-2-fluorophenyl methanamine,2-fluoro-5-chlorobenzylamine,2-fluoro-5-chlorobenzyl amine,1-5-chloro-2-fluorophenyl methanamine,5-chloro-2-fluoro-benzylamine,5-chloro-2-fluorophenyl methylamine,5-chloro-2-fluorobenzyl amine,pubchem4378 PubChem CID: 2773616 IUPAC Name: 1-(5-chloro-2-fluorophenyl)methanamine SMILES: NCC1=CC(Cl)=CC=C1F

Pricing & Availability
Specifications

PubChem CID	2773616
CAS	261723-26-6
Molecular Weight (g/mol)	159.59
MDL Number	MFCD01631440
SMILES	NCC1=CC(Cl)=CC=C1F
Synonym	5-chloro-2-fluorobenzylamine,5-chloro-2-fluorophenyl methanamine,2-fluoro-5-chlorobenzylamine,2-fluoro-5-chlorobenzyl amine,1-5-chloro-2-fluorophenyl methanamine,5-chloro-2-fluoro-benzylamine,5-chloro-2-fluorophenyl methylamine,5-chloro-2-fluorobenzyl amine,pubchem4378
IUPAC Name	1-(5-chloro-2-fluorophenyl)methanamine
InChI Key	BFLBLJKULFDOTN-UHFFFAOYSA-N
Molecular Formula	C7H7ClFN

5,685

N-Benzyl-1,3-propanediamine 96.0+%, TCI America™

CAS: 13910-48-0 Molecular Formula: C10H16N2 Molecular Weight (g/mol): 164.25 MDL Number: MFCD00274361 InChI Key: RFLHDXQRFPJPRR-UHFFFAOYSA-N Synonym: n1-benzylpropane-1,3-diamine,3-benzylamino propylamine,n-benzylpropane-1,3-diamine,3-aminopropyl benzyl amine,n-benzyl-1,3-propanediamine,n-3-aminopropyl-n-benzylamine,3-aminopropyl benzylamine,n-benzylpropan-1,3-diamin,n-benzyltrimethylenediamine,n-3-aminopropyl benzylamine PubChem CID: 83811 IUPAC Name: (3-aminopropyl)(benzyl)amine SMILES: NCCCNCC1=CC=CC=C1

Pricing & Availability
Specifications

PubChem CID	83811
CAS	13910-48-0
Molecular Weight (g/mol)	164.25
MDL Number	MFCD00274361
SMILES	NCCCNCC1=CC=CC=C1
Synonym	n1-benzylpropane-1,3-diamine,3-benzylamino propylamine,n-benzylpropane-1,3-diamine,3-aminopropyl benzyl amine,n-benzyl-1,3-propanediamine,n-3-aminopropyl-n-benzylamine,3-aminopropyl benzylamine,n-benzylpropan-1,3-diamin,n-benzyltrimethylenediamine,n-3-aminopropyl benzylamine
IUPAC Name	(3-aminopropyl)(benzyl)amine
InChI Key	RFLHDXQRFPJPRR-UHFFFAOYSA-N
Molecular Formula	C10H16N2

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