Benzene and substituted derivatives
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[2-(Aminomethyl)phenyl]acetic Acid 97.0+%, TCI America™
CAS: 40851-65-8 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD04038440 InChI Key: VLOIVYPDUSVCLZ-UHFFFAOYSA-N PubChem CID: 1514158 IUPAC Name: 2-[2-(aminomethyl)phenyl]acetic acid SMILES: NCC1=CC=CC=C1CC(O)=O
| PubChem CID | 1514158 |
|---|---|
| CAS | 40851-65-8 |
| Molecular Weight (g/mol) | 165.19 |
| MDL Number | MFCD04038440 |
| SMILES | NCC1=CC=CC=C1CC(O)=O |
| IUPAC Name | 2-[2-(aminomethyl)phenyl]acetic acid |
| InChI Key | VLOIVYPDUSVCLZ-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |
5'-Amino-2'-methylacetanilide 98.0+%, TCI America™
CAS: 5434-30-0 Molecular Formula: C9H12N2O Molecular Weight (g/mol): 164.208 MDL Number: MFCD00047859 InChI Key: UAZGSMMESOKKQZ-UHFFFAOYSA-N Synonym: n-5-amino-2-methylphenyl acetamide,2-acetylamino-4-aminotoluene,acetamide, n-5-amino-2-methylphenyl,5'-amino-2'-methylacetanilide,2-acetylamino-p-toluidine,n1-5-amino-2-methylphenyl acetamide,n-3-amino-6-methylphenyl acetamide,3-acetylamino-p-toluidine,2-methyl-5-aminoacetaniline,3-acetamido-4-methylaniline PubChem CID: 79492 IUPAC Name: N-(5-amino-2-methylphenyl)acetamide SMILES: CC1=C(C=C(C=C1)N)NC(=O)C
| PubChem CID | 79492 |
|---|---|
| CAS | 5434-30-0 |
| Molecular Weight (g/mol) | 164.208 |
| MDL Number | MFCD00047859 |
| SMILES | CC1=C(C=C(C=C1)N)NC(=O)C |
| Synonym | n-5-amino-2-methylphenyl acetamide,2-acetylamino-4-aminotoluene,acetamide, n-5-amino-2-methylphenyl,5'-amino-2'-methylacetanilide,2-acetylamino-p-toluidine,n1-5-amino-2-methylphenyl acetamide,n-3-amino-6-methylphenyl acetamide,3-acetylamino-p-toluidine,2-methyl-5-aminoacetaniline,3-acetamido-4-methylaniline |
| IUPAC Name | N-(5-amino-2-methylphenyl)acetamide |
| InChI Key | UAZGSMMESOKKQZ-UHFFFAOYSA-N |
| Molecular Formula | C9H12N2O |
Ambroxol Hydrochloride 98.0+%, TCI America™
CAS: 23828-92-4 Molecular Formula: C13H19Br2ClN2O Molecular Weight (g/mol): 414.57 MDL Number: MFCD00078932 InChI Key: QNVKOSLOVOTXKF-UHFFFAOYSA-N Synonym: ambroxol hydrochloride,ambroxol hcl,mucoangin,mucosolvan,ambroxolhydrochloride,unii-cc995zmv90,cis-4-2-amino-3,5-dibromobenzyl amino cyclohexanol hydrochloride,trans-4-2-amino-3,5-dibromobenzyl amino cyclohexanol hydrochloride,ambroxol hydrochloride jan,lasolvan PubChem CID: 108013 IUPAC Name: hydrogen 4-{[(2-amino-3,5-dibromophenyl)methyl]amino}cyclohexan-1-ol chloride SMILES: [H+].[Cl-].NC1=C(Br)C=C(Br)C=C1CNC1CCC(O)CC1
| PubChem CID | 108013 |
|---|---|
| CAS | 23828-92-4 |
| Molecular Weight (g/mol) | 414.57 |
| MDL Number | MFCD00078932 |
| SMILES | [H+].[Cl-].NC1=C(Br)C=C(Br)C=C1CNC1CCC(O)CC1 |
| Synonym | ambroxol hydrochloride,ambroxol hcl,mucoangin,mucosolvan,ambroxolhydrochloride,unii-cc995zmv90,cis-4-2-amino-3,5-dibromobenzyl amino cyclohexanol hydrochloride,trans-4-2-amino-3,5-dibromobenzyl amino cyclohexanol hydrochloride,ambroxol hydrochloride jan,lasolvan |
| IUPAC Name | hydrogen 4-{[(2-amino-3,5-dibromophenyl)methyl]amino}cyclohexan-1-ol chloride |
| InChI Key | QNVKOSLOVOTXKF-UHFFFAOYSA-N |
| Molecular Formula | C13H19Br2ClN2O |
4-Amino-2-methoxybenzoic Acid 98.0+%, TCI America™
CAS: 2486-80-8 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD00114479 InChI Key: OLJXRTRRJSMURJ-UHFFFAOYSA-N Synonym: 4-amino-o-anisic acid,4-amino-2-methoxy-benzoic acid,4-amino-2-methoxybenzenecarboxylic acid,2-methoxy-4-amino-benzoic acid,4-amino-2-methoxybenzoicacid,4-azanyl-2-methoxy-benzoic acid,benzoic acid, 4-amino-2-methoxy,2-methoxy-4-aminobenzoic acid,acmc-20aicb,pubchem4934 PubChem CID: 75599 IUPAC Name: 4-amino-2-methoxybenzoic acid SMILES: COC1=C(C=CC(=C1)N)C(=O)O
| PubChem CID | 75599 |
|---|---|
| CAS | 2486-80-8 |
| Molecular Weight (g/mol) | 167.164 |
| MDL Number | MFCD00114479 |
| SMILES | COC1=C(C=CC(=C1)N)C(=O)O |
| Synonym | 4-amino-o-anisic acid,4-amino-2-methoxy-benzoic acid,4-amino-2-methoxybenzenecarboxylic acid,2-methoxy-4-amino-benzoic acid,4-amino-2-methoxybenzoicacid,4-azanyl-2-methoxy-benzoic acid,benzoic acid, 4-amino-2-methoxy,2-methoxy-4-aminobenzoic acid,acmc-20aicb,pubchem4934 |
| IUPAC Name | 4-amino-2-methoxybenzoic acid |
| InChI Key | OLJXRTRRJSMURJ-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO3 |
4-Benzylphenol 98.0+%, TCI America™
CAS: 101-53-1 Molecular Formula: C13H12O Molecular Weight (g/mol): 184.238 MDL Number: MFCD00002384 InChI Key: HJSPWKGEPDZNLK-UHFFFAOYSA-N Synonym: p-benzylphenol,fesiasept,4-hydroxydiphenylmethane,4-hydroxyditane,4-phenylmethyl phenol,phenol, 4-phenylmethyl,p-hydroxydiphenyl methane,alpha-phenyl-p-cresol,p-hydroxydiphenylmethane,4-benzyl-phenol PubChem CID: 7563 IUPAC Name: 4-benzylphenol SMILES: C1=CC=C(C=C1)CC2=CC=C(C=C2)O
| PubChem CID | 7563 |
|---|---|
| CAS | 101-53-1 |
| Molecular Weight (g/mol) | 184.238 |
| MDL Number | MFCD00002384 |
| SMILES | C1=CC=C(C=C1)CC2=CC=C(C=C2)O |
| Synonym | p-benzylphenol,fesiasept,4-hydroxydiphenylmethane,4-hydroxyditane,4-phenylmethyl phenol,phenol, 4-phenylmethyl,p-hydroxydiphenyl methane,alpha-phenyl-p-cresol,p-hydroxydiphenylmethane,4-benzyl-phenol |
| IUPAC Name | 4-benzylphenol |
| InChI Key | HJSPWKGEPDZNLK-UHFFFAOYSA-N |
| Molecular Formula | C13H12O |
alpha,alpha,alpha',alpha',4,5-Hexabromo-o-xylene 98.0+%, TCI America™
CAS: 13209-20-6 Molecular Formula: C8H4Br6 Molecular Weight (g/mol): 579.544 MDL Number: MFCD00191445 InChI Key: QPLVNMIEWOGDBY-UHFFFAOYSA-N PubChem CID: 12186451 IUPAC Name: 1,2-dibromo-4,5-bis(dibromomethyl)benzene SMILES: C1=C(C(=CC(=C1Br)Br)C(Br)Br)C(Br)Br
| PubChem CID | 12186451 |
|---|---|
| CAS | 13209-20-6 |
| Molecular Weight (g/mol) | 579.544 |
| MDL Number | MFCD00191445 |
| SMILES | C1=C(C(=CC(=C1Br)Br)C(Br)Br)C(Br)Br |
| IUPAC Name | 1,2-dibromo-4,5-bis(dibromomethyl)benzene |
| InChI Key | QPLVNMIEWOGDBY-UHFFFAOYSA-N |
| Molecular Formula | C8H4Br6 |
2-Amino-3-methylbenzoic Acid 98.0+%, TCI America™
CAS: 4389-45-1 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 InChI Key: WNAJXPYVTFYEST-UHFFFAOYSA-N Synonym: 3-methylanthranilic acid,2-amino-3-methyl-benzoic acid,2-amino-3-methylbenzoicacid,3-methyl-2-aminobenzoic acid,benzoic acid, 2-amino-3-methyl,2-amino-m-toluic acid,2-amino-3-methyl benzoic acid,m-toluic acid, 2-amino,unii-8rgx6sqe9n,2-amino-3-methylbenzoate PubChem CID: 78101 ChEBI: CHEBI:80574 IUPAC Name: 2-amino-3-methylbenzoic acid SMILES: CC1=CC=CC(=C1N)C(=O)O
| PubChem CID | 78101 |
|---|---|
| CAS | 4389-45-1 |
| Molecular Weight (g/mol) | 151.165 |
| ChEBI | CHEBI:80574 |
| SMILES | CC1=CC=CC(=C1N)C(=O)O |
| Synonym | 3-methylanthranilic acid,2-amino-3-methyl-benzoic acid,2-amino-3-methylbenzoicacid,3-methyl-2-aminobenzoic acid,benzoic acid, 2-amino-3-methyl,2-amino-m-toluic acid,2-amino-3-methyl benzoic acid,m-toluic acid, 2-amino,unii-8rgx6sqe9n,2-amino-3-methylbenzoate |
| IUPAC Name | 2-amino-3-methylbenzoic acid |
| InChI Key | WNAJXPYVTFYEST-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
3-Amino-4-methoxybenzamide 98.0+%, TCI America™
CAS: 17481-27-5 Molecular Formula: C8H10N2O2 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00017132 InChI Key: INCJNDAQNPWMPZ-UHFFFAOYSA-N Synonym: benzamide, 3-amino-4-methoxy,3-amino-p-anisamide,3-amino-4-methoxy-benzamide,3-amino-4-methoxy benzamide,acmc-209e8v,5-amino-4-methoxybenzamide,cambridge id 5306680,ksc495o3j,incjndaqnpwmpz-uhfffaoysa PubChem CID: 87135 IUPAC Name: 3-amino-4-methoxybenzamide SMILES: COC1=C(C=C(C=C1)C(=O)N)N
| PubChem CID | 87135 |
|---|---|
| CAS | 17481-27-5 |
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD00017132 |
| SMILES | COC1=C(C=C(C=C1)C(=O)N)N |
| Synonym | benzamide, 3-amino-4-methoxy,3-amino-p-anisamide,3-amino-4-methoxy-benzamide,3-amino-4-methoxy benzamide,acmc-209e8v,5-amino-4-methoxybenzamide,cambridge id 5306680,ksc495o3j,incjndaqnpwmpz-uhfffaoysa |
| IUPAC Name | 3-amino-4-methoxybenzamide |
| InChI Key | INCJNDAQNPWMPZ-UHFFFAOYSA-N |
| Molecular Formula | C8H10N2O2 |
5-Aminosalicylic Acid 98.0+%, TCI America™
CAS: 89-57-6 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.137 MDL Number: MFCD00007877 InChI Key: KBOPZPXVLCULAV-UHFFFAOYSA-N Synonym: 5-aminosalicylic acid,mesalazine,mesalamine,pentasa,claversal,asacol,canasa,salofalk,rowasa,5-asa PubChem CID: 4075 ChEBI: CHEBI:6775 IUPAC Name: 5-amino-2-hydroxybenzoic acid SMILES: C1=CC(=C(C=C1N)C(=O)O)O
| PubChem CID | 4075 |
|---|---|
| CAS | 89-57-6 |
| Molecular Weight (g/mol) | 153.137 |
| ChEBI | CHEBI:6775 |
| MDL Number | MFCD00007877 |
| SMILES | C1=CC(=C(C=C1N)C(=O)O)O |
| Synonym | 5-aminosalicylic acid,mesalazine,mesalamine,pentasa,claversal,asacol,canasa,salofalk,rowasa,5-asa |
| IUPAC Name | 5-amino-2-hydroxybenzoic acid |
| InChI Key | KBOPZPXVLCULAV-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO3 |
Azelnidipine 98.0+%, TCI America™
CAS: 123524-52-7 Molecular Formula: C33H34N4O6 Molecular Weight (g/mol): 582.66 MDL Number: MFCD00865803 InChI Key: ZKFQEACEUNWPMT-UHFFFAOYNA-N Synonym: 2-Amino-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic Acid 3-[1-(Diphenylmethyl)-3-azetidinyl] 5-Isopropyl Ester, 3-[1-(Diphenylmethyl)-3-azetidinyl] 5-Isopropyl 2-Amino-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate PubChem CID: 65948 IUPAC Name: 3-[1-(diphenylmethyl)azetidin-3-yl] 5-propan-2-yl 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate SMILES: CC(C)OC(=O)C1=C(C)NC(N)=C(C1C1=CC=CC(=C1)[N+]([O-])=O)C(=O)OC1CN(C1)C(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 65948 |
|---|---|
| CAS | 123524-52-7 |
| Molecular Weight (g/mol) | 582.66 |
| MDL Number | MFCD00865803 |
| SMILES | CC(C)OC(=O)C1=C(C)NC(N)=C(C1C1=CC=CC(=C1)[N+]([O-])=O)C(=O)OC1CN(C1)C(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 2-Amino-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic Acid 3-[1-(Diphenylmethyl)-3-azetidinyl] 5-Isopropyl Ester, 3-[1-(Diphenylmethyl)-3-azetidinyl] 5-Isopropyl 2-Amino-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate |
| IUPAC Name | 3-[1-(diphenylmethyl)azetidin-3-yl] 5-propan-2-yl 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
| InChI Key | ZKFQEACEUNWPMT-UHFFFAOYNA-N |
| Molecular Formula | C33H34N4O6 |
3-Amino-N-methylbenzylamine 97.0+%, TCI America™
CAS: 18759-96-1 Molecular Formula: C8H12N2 Molecular Weight (g/mol): 136.20 MDL Number: MFCD00211072 InChI Key: HBLPYXIZPMDWIO-UHFFFAOYSA-N Synonym: 3-(Methylaminomethyl)aniline PubChem CID: 11643936 IUPAC Name: 3-[(methylamino)methyl]aniline SMILES: CNCC1=CC(N)=CC=C1
| PubChem CID | 11643936 |
|---|---|
| CAS | 18759-96-1 |
| Molecular Weight (g/mol) | 136.20 |
| MDL Number | MFCD00211072 |
| SMILES | CNCC1=CC(N)=CC=C1 |
| Synonym | 3-(Methylaminomethyl)aniline |
| IUPAC Name | 3-[(methylamino)methyl]aniline |
| InChI Key | HBLPYXIZPMDWIO-UHFFFAOYSA-N |
| Molecular Formula | C8H12N2 |
3-Amino-4-hydroxyphenyl Methyl Sulfone 97.0+%, TCI America™
CAS: 98-30-6 Molecular Formula: C7H9NO3S Molecular Weight (g/mol): 187.21 MDL Number: MFCD00719450 InChI Key: SFLMBHYNCSYPOO-UHFFFAOYSA-N Synonym: 2-Amino-4-(methylsulfonyl)phenol, 2-Hydroxy-5-(methylsulfonyl)aniline PubChem CID: 7382 IUPAC Name: 2-amino-4-methanesulfonylphenol SMILES: CS(=O)(=O)C1=CC=C(O)C(N)=C1
| PubChem CID | 7382 |
|---|---|
| CAS | 98-30-6 |
| Molecular Weight (g/mol) | 187.21 |
| MDL Number | MFCD00719450 |
| SMILES | CS(=O)(=O)C1=CC=C(O)C(N)=C1 |
| Synonym | 2-Amino-4-(methylsulfonyl)phenol, 2-Hydroxy-5-(methylsulfonyl)aniline |
| IUPAC Name | 2-amino-4-methanesulfonylphenol |
| InChI Key | SFLMBHYNCSYPOO-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO3S |
2-Amino-6-methoxybenzoic Acid 98.0+%, TCI America™
CAS: 53600-33-2 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD01941328 InChI Key: DYZDIWNRWSNVPT-UHFFFAOYSA-N Synonym: 6-methoxyanthranilic acid,6-amino-o-anisic acid,2-amino-6-methoxy-benzoic acid,2-amino-6-methoxybenzoicacid,benzoic acid, 2-amino-6-methoxy,6-methoxy anthranilic acid,pubchem4706,3-amino-2-carboxyanisole,6-methoxy-anthranilic acid,2-carboxy-3-methoxyaniline PubChem CID: 2735357 IUPAC Name: 2-amino-6-methoxybenzoic acid SMILES: COC1=CC=CC(=C1C(=O)O)N
| PubChem CID | 2735357 |
|---|---|
| CAS | 53600-33-2 |
| Molecular Weight (g/mol) | 167.164 |
| MDL Number | MFCD01941328 |
| SMILES | COC1=CC=CC(=C1C(=O)O)N |
| Synonym | 6-methoxyanthranilic acid,6-amino-o-anisic acid,2-amino-6-methoxy-benzoic acid,2-amino-6-methoxybenzoicacid,benzoic acid, 2-amino-6-methoxy,6-methoxy anthranilic acid,pubchem4706,3-amino-2-carboxyanisole,6-methoxy-anthranilic acid,2-carboxy-3-methoxyaniline |
| IUPAC Name | 2-amino-6-methoxybenzoic acid |
| InChI Key | DYZDIWNRWSNVPT-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO3 |
| PubChem CID | 2778651 |
|---|---|
| CAS | 374538-01-9 |
| Molecular Weight (g/mol) | 167.93 |
| MDL Number | MFCD02093074 |
| Color | White-Yellow |
| Physical Form | Crystalline Powder |
| SMILES | B(C1=CC(=C(C=C1)F)C=O)(O)O |
| TSCA | No |
| IUPAC Name | (4-fluoro-3-formylphenyl)boronic acid |
| InChI Key | YABSTJQEBSKPCG-UHFFFAOYSA-N |
| Molecular Formula | C7H6BFO3 |
| Formula Weight | 167.93 |
| Melting Point | 220°C |
5-Iodosalicylic Acid 98.0+%, TCI America™
CAS: 119-30-2 Molecular Formula: C7H5IO3 Molecular Weight (g/mol): 264.018 MDL Number: MFCD00002458 InChI Key: SWDNKOFGNPGRPI-UHFFFAOYSA-N Synonym: 5-iodosalicylic acid,benzoic acid, 2-hydroxy-5-iodo,salicylic acid, 5-iodo,5-iodo-2-hydroxybenzoic acid,2-hydroxy-5-iodo-benzoic acid,rarechem al be 0824,labotest-bb lt00454718,5-jod-salicylsaure,5-iodosalicylicacid,5-iodo-salicylicaci PubChem CID: 8388 IUPAC Name: 2-hydroxy-5-iodobenzoic acid SMILES: C1=CC(=C(C=C1I)C(=O)O)O
| PubChem CID | 8388 |
|---|---|
| CAS | 119-30-2 |
| Molecular Weight (g/mol) | 264.018 |
| MDL Number | MFCD00002458 |
| SMILES | C1=CC(=C(C=C1I)C(=O)O)O |
| Synonym | 5-iodosalicylic acid,benzoic acid, 2-hydroxy-5-iodo,salicylic acid, 5-iodo,5-iodo-2-hydroxybenzoic acid,2-hydroxy-5-iodo-benzoic acid,rarechem al be 0824,labotest-bb lt00454718,5-jod-salicylsaure,5-iodosalicylicacid,5-iodo-salicylicaci |
| IUPAC Name | 2-hydroxy-5-iodobenzoic acid |
| InChI Key | SWDNKOFGNPGRPI-UHFFFAOYSA-N |
| Molecular Formula | C7H5IO3 |