(2S,3S)-2,3-Dihydroxy-4-[(4-Methylphenyl)Amino]-4-Oxobutanoic Acid
[CAS# 206761-78-6]

Identification

• Name: (2S,3S)-2,3-Dihydroxy-4-[(4-Methylphenyl)Amino]-4-Oxobutanoic Acid
• Synonyms: (-)-4'-Methyltartranilic acid; (-)-4-METHYLTARTRANILICACID; (2S,3S)-2,3-dihydroxy-3-[N-(4-methylphenyl)carbamoyl]propanoic acid
• Molecular Formula: C₁₁H₁₃NO₅
• Molecular Weight: 239.22
• CAS Registry Number: 206761-78-6
• SMILES: O=C(Nc1ccc(cc1)C)[C@@H](O)[C@H](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)/t8-,9-/m0/s1
• InChIKey: XUPDOKFGWPFCPJ-IUCAKERBSA-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.)