Benzene and substituted derivatives
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N-(Diphenylmethylene)glycine tert-butyl ester, 99%
CAS: 81477-94-3 Molecular Formula: C19H21NO2 Molecular Weight (g/mol): 295.382 MDL Number: MFCD00134280 InChI Key: YSHDPXQDVKNPKA-UHFFFAOYSA-N Synonym: n-diphenylmethylene glycine tert-butyl ester,diphenylmethylene-glycine t-butyl ester,tert-butyl 2-diphenylmethylene amino acetate,n-diphenylmethylene glycerine tert-butyl ester,tert-butyl 2-diphenylmethyleneamino acetate,diphenylmethyleneamino acetic acid tert-butyl ester,tert-butyl diphenylmethyleneamino acetate,n-diphenylmethylene glycinetert-butylester,tert-butyl 2-benzhydrylideneamino acetate,glycine, n-diphenylmethylene-, 1,1-dimethylethyl ester PubChem CID: 688171 IUPAC Name: tert-butyl 2-(benzhydrylideneamino)acetate SMILES: CC(C)(C)OC(=O)CN=C(C1=CC=CC=C1)C2=CC=CC=C2
| PubChem CID | 688171 |
|---|---|
| CAS | 81477-94-3 |
| Molecular Weight (g/mol) | 295.382 |
| MDL Number | MFCD00134280 |
| SMILES | CC(C)(C)OC(=O)CN=C(C1=CC=CC=C1)C2=CC=CC=C2 |
| Synonym | n-diphenylmethylene glycine tert-butyl ester,diphenylmethylene-glycine t-butyl ester,tert-butyl 2-diphenylmethylene amino acetate,n-diphenylmethylene glycerine tert-butyl ester,tert-butyl 2-diphenylmethyleneamino acetate,diphenylmethyleneamino acetic acid tert-butyl ester,tert-butyl diphenylmethyleneamino acetate,n-diphenylmethylene glycinetert-butylester,tert-butyl 2-benzhydrylideneamino acetate,glycine, n-diphenylmethylene-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 2-(benzhydrylideneamino)acetate |
| InChI Key | YSHDPXQDVKNPKA-UHFFFAOYSA-N |
| Molecular Formula | C19H21NO2 |
Hippuric acid, 98%
CAS: 495-69-2 Molecular Formula: C9H9NO3 Molecular Weight (g/mol): 179.18 MDL Number: MFCD00002692 InChI Key: QIAFMBKCNZACKA-UHFFFAOYSA-N Synonym: hippuric acid,n-benzoylglycine,glycine, n-benzoyl,benzoylglycine,benzamidoacetic acid,benzoylaminoacetic acid,hippurate,hippursaeure,phenylcarbonylaminoacetic acid,benzamidoessigsaeure PubChem CID: 464 ChEBI: CHEBI:18089 SMILES: OC(=O)CNC(=O)C1=CC=CC=C1
| PubChem CID | 464 |
|---|---|
| CAS | 495-69-2 |
| Molecular Weight (g/mol) | 179.18 |
| ChEBI | CHEBI:18089 |
| MDL Number | MFCD00002692 |
| SMILES | OC(=O)CNC(=O)C1=CC=CC=C1 |
| Synonym | hippuric acid,n-benzoylglycine,glycine, n-benzoyl,benzoylglycine,benzamidoacetic acid,benzoylaminoacetic acid,hippurate,hippursaeure,phenylcarbonylaminoacetic acid,benzamidoessigsaeure |
| InChI Key | QIAFMBKCNZACKA-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO3 |
4-Aminohippuric acid, 99%
CAS: 61-78-9 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00007890 InChI Key: HSMNQINEKMPTIC-UHFFFAOYSA-N Synonym: 4-aminohippuric acid,aminohippuric acid,p-aminohippuric acid,paha,glycine, n-4-aminobenzoyl,n-4-aminobenzoyl glycine,para-aminohippuric acid,aminohippurate,nefrotest,n-p-aminobenzoyl glycine PubChem CID: 2148 ChEBI: CHEBI:104011 IUPAC Name: 2-[(4-aminobenzoyl)amino]acetic acid SMILES: C1=CC(=CC=C1C(=O)NCC(=O)O)N
| PubChem CID | 2148 |
|---|---|
| CAS | 61-78-9 |
| Molecular Weight (g/mol) | 194.19 |
| ChEBI | CHEBI:104011 |
| MDL Number | MFCD00007890 |
| SMILES | C1=CC(=CC=C1C(=O)NCC(=O)O)N |
| Synonym | 4-aminohippuric acid,aminohippuric acid,p-aminohippuric acid,paha,glycine, n-4-aminobenzoyl,n-4-aminobenzoyl glycine,para-aminohippuric acid,aminohippurate,nefrotest,n-p-aminobenzoyl glycine |
| IUPAC Name | 2-[(4-aminobenzoyl)amino]acetic acid |
| InChI Key | HSMNQINEKMPTIC-UHFFFAOYSA-N |
2-Hydroxyhippuric acid, 95%
CAS: 487-54-7 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.17 MDL Number: MFCD00002695 InChI Key: ONJSZLXSECQROL-UHFFFAOYSA-N Synonym: salicyluric acid,2-hydroxyhippuric acid,salicylurate,o-hydroxyhippuric acid,n-salicyloylglycine,salicyloylglycine,n-2-hydroxybenzoyl glycine,glycine, n-2-hydroxybenzoyl,2-2-hydroxybenzamido acetic acid,n-o-hydroxybenzoylglycine PubChem CID: 10253 ChEBI: CHEBI:9008 IUPAC Name: 2-[(2-hydroxybenzoyl)amino]acetic acid SMILES: OC(=O)CNC(=O)C1=CC=CC=C1O
| PubChem CID | 10253 |
|---|---|
| CAS | 487-54-7 |
| Molecular Weight (g/mol) | 195.17 |
| ChEBI | CHEBI:9008 |
| MDL Number | MFCD00002695 |
| SMILES | OC(=O)CNC(=O)C1=CC=CC=C1O |
| Synonym | salicyluric acid,2-hydroxyhippuric acid,salicylurate,o-hydroxyhippuric acid,n-salicyloylglycine,salicyloylglycine,n-2-hydroxybenzoyl glycine,glycine, n-2-hydroxybenzoyl,2-2-hydroxybenzamido acetic acid,n-o-hydroxybenzoylglycine |
| IUPAC Name | 2-[(2-hydroxybenzoyl)amino]acetic acid |
| InChI Key | ONJSZLXSECQROL-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO4 |
Sodium hippurate, 96%
CAS: 532-94-5 Molecular Formula: C9H8NNaO3 Molecular Weight (g/mol): 201.157 MDL Number: MFCD00002693 InChI Key: ZBCAZEFVTIBZJS-UHFFFAOYSA-M Synonym: sodium hippurate,hippuric acid sodium salt,sodium 2-benzamidoacetate,n-benzoylglycine sodium salt,glycine, n-benzoyl-, monosodium salt,ccris 5812,hippuric acid, monosodium salt,glycine, n-benzoyl-, sodium salt 1:1,hippurate sodium,benzoylaminoacetic acid sodium salt PubChem CID: 516953 IUPAC Name: sodium;2-benzamidoacetate SMILES: C1=CC=C(C=C1)C(=O)NCC(=O)[O-].[Na+]
| PubChem CID | 516953 |
|---|---|
| CAS | 532-94-5 |
| Molecular Weight (g/mol) | 201.157 |
| MDL Number | MFCD00002693 |
| SMILES | C1=CC=C(C=C1)C(=O)NCC(=O)[O-].[Na+] |
| Synonym | sodium hippurate,hippuric acid sodium salt,sodium 2-benzamidoacetate,n-benzoylglycine sodium salt,glycine, n-benzoyl-, monosodium salt,ccris 5812,hippuric acid, monosodium salt,glycine, n-benzoyl-, sodium salt 1:1,hippurate sodium,benzoylaminoacetic acid sodium salt |
| IUPAC Name | sodium;2-benzamidoacetate |
| InChI Key | ZBCAZEFVTIBZJS-UHFFFAOYSA-M |
| Molecular Formula | C9H8NNaO3 |
Hippuric acid, 98%
CAS: 495-69-2 Molecular Formula: C9H9NO3 Molecular Weight (g/mol): 179.18 MDL Number: MFCD00002692 InChI Key: QIAFMBKCNZACKA-UHFFFAOYSA-N Synonym: hippuric acid,n-benzoylglycine,glycine, n-benzoyl,benzoylglycine,benzamidoacetic acid,benzoylaminoacetic acid,hippurate,hippursaeure,phenylcarbonylaminoacetic acid,benzamidoessigsaeure PubChem CID: 464 ChEBI: CHEBI:18089 IUPAC Name: 2-benzamidoacetic acid SMILES: OC(=O)CNC(=O)C1=CC=CC=C1
| PubChem CID | 464 |
|---|---|
| CAS | 495-69-2 |
| Molecular Weight (g/mol) | 179.18 |
| ChEBI | CHEBI:18089 |
| MDL Number | MFCD00002692 |
| SMILES | OC(=O)CNC(=O)C1=CC=CC=C1 |
| Synonym | hippuric acid,n-benzoylglycine,glycine, n-benzoyl,benzoylglycine,benzamidoacetic acid,benzoylaminoacetic acid,hippurate,hippursaeure,phenylcarbonylaminoacetic acid,benzamidoessigsaeure |
| IUPAC Name | 2-benzamidoacetic acid |
| InChI Key | QIAFMBKCNZACKA-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO3 |
Thermo Scientific Chemicals alpha,alpha-Diphenylglycine, 98%
CAS: 3060-50-2 Molecular Formula: C14H13NO2 Molecular Weight (g/mol): 227.26 MDL Number: MFCD00008048 InChI Key: YBONNYNNFBAKLI-UHFFFAOYSA-N Synonym: 2,2-diphenylglycine,alpha,alpha-diphenylglycine,alpha-aminodiphenylacetic acid,glycine, 2,2-diphenyl,alpha-amino-alpha-phenylbenzeneacetic acid,.alpha.-aminodiphenylacetic acid,.alpha.,.alpha.-diphenylglycine,benzeneacetic acid, .alpha.-amino-.alpha.-phenyl,aminodiphenylacetic acid,phenytoin impurity c PubChem CID: 18289 IUPAC Name: 2-amino-2,2-diphenylacetic acid SMILES: NC(C(O)=O)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 18289 |
|---|---|
| CAS | 3060-50-2 |
| Molecular Weight (g/mol) | 227.26 |
| MDL Number | MFCD00008048 |
| SMILES | NC(C(O)=O)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 2,2-diphenylglycine,alpha,alpha-diphenylglycine,alpha-aminodiphenylacetic acid,glycine, 2,2-diphenyl,alpha-amino-alpha-phenylbenzeneacetic acid,.alpha.-aminodiphenylacetic acid,.alpha.,.alpha.-diphenylglycine,benzeneacetic acid, .alpha.-amino-.alpha.-phenyl,aminodiphenylacetic acid,phenytoin impurity c |
| IUPAC Name | 2-amino-2,2-diphenylacetic acid |
| InChI Key | YBONNYNNFBAKLI-UHFFFAOYSA-N |
| Molecular Formula | C14H13NO2 |
N-Methylhippuric acid, 99%, Thermo Scientific™
CAS: 2568-34-5 Molecular Formula: C10H11NO3 Molecular Weight (g/mol): 193.20 MDL Number: MFCD00144940 InChI Key: PKCSYDDSNIJRIX-UHFFFAOYSA-N Synonym: benzoylsarcosine,n-methylhippuric acid,n-benzoyl-n-methylglycine,n-benzoylsarcosine,glycine, n-benzoyl-n-methyl,2-n-methylbenzamido acetic acid,sarcosine, n-benzoyl,2-benzoyl methyl amino acetic acid,chembl66391,2-n-methyl-1-phenylformamido acetic acid PubChem CID: 75728 IUPAC Name: 2-[benzoyl(methyl)amino]acetic acid SMILES: CN(CC(O)=O)C(=O)C1=CC=CC=C1
| PubChem CID | 75728 |
|---|---|
| CAS | 2568-34-5 |
| Molecular Weight (g/mol) | 193.20 |
| MDL Number | MFCD00144940 |
| SMILES | CN(CC(O)=O)C(=O)C1=CC=CC=C1 |
| Synonym | benzoylsarcosine,n-methylhippuric acid,n-benzoyl-n-methylglycine,n-benzoylsarcosine,glycine, n-benzoyl-n-methyl,2-n-methylbenzamido acetic acid,sarcosine, n-benzoyl,2-benzoyl methyl amino acetic acid,chembl66391,2-n-methyl-1-phenylformamido acetic acid |
| IUPAC Name | 2-[benzoyl(methyl)amino]acetic acid |
| InChI Key | PKCSYDDSNIJRIX-UHFFFAOYSA-N |
| Molecular Formula | C10H11NO3 |
| CAS | 2491-06-7 |
|---|---|
| MDL Number | MFCD00012610 |
4-Hydroxyhippuric Acid, TRC
CAS: 2482-25-9 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.17 Synonym: N-(4-Hydroxybenzoyl)glycine,4-Hydroxybenzoylglycine,N-(p-Hydroxybenzoyl)glycine,p-Hydroxyhippuric Acid IUPAC Name: 2-[(4-hydroxybenzoyl)amino]acetic acid SMILES: OC(=O)CNC(=O)c1ccc(O)cc1
| CAS | 2482-25-9 |
|---|---|
| Molecular Weight (g/mol) | 195.17 |
| SMILES | OC(=O)CNC(=O)c1ccc(O)cc1 |
| Synonym | N-(4-Hydroxybenzoyl)glycine,4-Hydroxybenzoylglycine,N-(p-Hydroxybenzoyl)glycine,p-Hydroxyhippuric Acid |
| IUPAC Name | 2-[(4-hydroxybenzoyl)amino]acetic acid |
| Molecular Formula | C9H9NO4 |
Hippuric Acid, TRC
CAS: 495-69-2 Molecular Formula: C9 H9 N O3 Molecular Weight (g/mol): 179.17 Synonym: Hippuric acid (8CI),2-(Benzoylamino)acetic acid,2-Benzamidoacetic acid,Acetic acid, (benzoylamino)-,Benzamidoacetic acid,Benzoyl Glycocoll,Benzoylglycine,N-(Phenylcarbonyl)glycine,N-Benzoylglycine,NSC 9982,Phenylcarbonylaminoacetic acid,Glycine, N-benzoyl-,Hippuric Acid IUPAC Name: 2-benzamidoacetic acid SMILES: OC(=O)CNC(=O)c1ccccc1
| CAS | 495-69-2 |
|---|---|
| Molecular Weight (g/mol) | 179.17 |
| SMILES | OC(=O)CNC(=O)c1ccccc1 |
| Synonym | Hippuric acid (8CI),2-(Benzoylamino)acetic acid,2-Benzamidoacetic acid,Acetic acid, (benzoylamino)-,Benzamidoacetic acid,Benzoyl Glycocoll,Benzoylglycine,N-(Phenylcarbonyl)glycine,N-Benzoylglycine,NSC 9982,Phenylcarbonylaminoacetic acid,Glycine, N-benzoyl-,Hippuric Acid |
| IUPAC Name | 2-benzamidoacetic acid |
| Molecular Formula | C9 H9 N O3 |
2-Hydroxy Hippuric Acid-13C2,15N, TRC
CAS: 1286521-95-6 Molecular Formula: C713C2H915NO4 Molecular Weight (g/mol): 198.15 Synonym: N-(2-Hydroxybenzoyl)glycine-13C2,15N,o-Hydroxy-hippuric Acid,Salicyluric Acid-13C2,15N,(2-Hydroxybenzoyl)glycine-13C2,15N,2-Hydroxyhippuric Acid-13C2,15N,NSC 524135-13C2,15N,Salicyloylglycine-13C2,15N,o-Hydroxyhippuric Acid-13C2,15N; IUPAC Name: 2-[(2-hydroxybenzoyl)amino]acetic acid SMILES: OC1=CC=CC=C1C([15NH][13CH2][13C](O)=O)=O
| CAS | 1286521-95-6 |
|---|---|
| Molecular Weight (g/mol) | 198.15 |
| SMILES | OC1=CC=CC=C1C([15NH][13CH2][13C](O)=O)=O |
| Synonym | N-(2-Hydroxybenzoyl)glycine-13C2,15N,o-Hydroxy-hippuric Acid,Salicyluric Acid-13C2,15N,(2-Hydroxybenzoyl)glycine-13C2,15N,2-Hydroxyhippuric Acid-13C2,15N,NSC 524135-13C2,15N,Salicyloylglycine-13C2,15N,o-Hydroxyhippuric Acid-13C2,15N; |
| IUPAC Name | 2-[(2-hydroxybenzoyl)amino]acetic acid |
| Molecular Formula | C713C2H915NO4 |
3-Methyl Hippuric Acid, TRC
CAS: 27115-49-7 Molecular Formula: C10 H11 N O3 Molecular Weight (g/mol): 193.2 Synonym: Glycine, N-(3-methylbenzoyl)-,Hippuric acid, 3-methyl- (7CI),Hippuric acid, m-methyl- (6CI,8CI),N-(3-Methylbenzoyl)glycine,(3-Methyl-benzoylamino)-acetic acid,2-[(3-Methylbenzoyl)amino]acetic acid,2-[(3-Methylphenyl)formamido]acetic acid,3-Methylbenzoylglycine,3-Methylhippuric acid,NSC 201735,m-Methylhippuric acid,m-Toluric acid IUPAC Name: 2-[(3-methylbenzoyl)amino]acetic acid SMILES: Cc1cccc(c1)C(=O)NCC(=O)O
| CAS | 27115-49-7 |
|---|---|
| Molecular Weight (g/mol) | 193.2 |
| SMILES | Cc1cccc(c1)C(=O)NCC(=O)O |
| Synonym | Glycine, N-(3-methylbenzoyl)-,Hippuric acid, 3-methyl- (7CI),Hippuric acid, m-methyl- (6CI,8CI),N-(3-Methylbenzoyl)glycine,(3-Methyl-benzoylamino)-acetic acid,2-[(3-Methylbenzoyl)amino]acetic acid,2-[(3-Methylphenyl)formamido]acetic acid,3-Methylbenzoylglycine,3-Methylhippuric acid,NSC 201735,m-Methylhippuric acid,m-Toluric acid |
| IUPAC Name | 2-[(3-methylbenzoyl)amino]acetic acid |
| Molecular Formula | C10 H11 N O3 |
m-Hydroxyhippuric Acid, TRC
CAS: 1637-75-8 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.17 Synonym: N-(3-Hydroxybenzoyl)-glycine,3-Hydroxybenzoylglycine,3-Hydroxyhippuric acid,N-m-Hydroxylbenzoylglycine IUPAC Name: 2-[(3-hydroxybenzoyl)amino]acetic acid SMILES: Cl.N#CCCNC(C)Cc1ccccc1
| CAS | 1637-75-8 |
|---|---|
| Molecular Weight (g/mol) | 195.17 |
| SMILES | Cl.N#CCCNC(C)Cc1ccccc1 |
| Synonym | N-(3-Hydroxybenzoyl)-glycine,3-Hydroxybenzoylglycine,3-Hydroxyhippuric acid,N-m-Hydroxylbenzoylglycine |
| IUPAC Name | 2-[(3-hydroxybenzoyl)amino]acetic acid |
| Molecular Formula | C9H9NO4 |