2,3-Dihydroxy-4-[(4-Methylphenyl)Amino]-4-Oxobutanoic Acid
[CAS# 206761-79-7]

Identification

• Name: 2,3-Dihydroxy-4-[(4-Methylphenyl)Amino]-4-Oxobutanoic Acid
• Synonyms: (-)-4'-Methyltartranilic acid; (+)-4'-Methyltartranilic acid; (+)-4'-METHYLTARTRANILICACID
• Molecular Formula: C₁₁H₁₃NO₅
• Molecular Weight: 239.22
• CAS Registry Number: 206761-79-7
• SMILES: O=C(Nc1ccc(cc1)C)C(O)C(O)C(=O)O
• InChI: 1S/C11H13NO5/c1-6-2-4-7(5-3-6)12-10(15)8(13)9(14)11(16)17/h2-5,8-9,13-14H,1H3,(H,12,15)(H,16,17)
• InChIKey: XUPDOKFGWPFCPJ-UHFFFAOYSA-N

Properties

• Density: 1.475g/cm³ (Cal.)
• Melting point: 191-192°C (Expl.)
• Boiling point: 576.285°C at 760 mmHg (Cal.)
• Flash point: 302.326°C (Cal.)
• Refractive index: 1.65 (Cal.)

Safety Data

• Safety Description: IRRITANT

References

• (1): Powers RA, Morandi F, Shoichet BK. Structure-based discovery of a novel, noncovalent inhibitor of AmpC beta-lactamase., Structure. 2002 Jul;10(7):1013-23