2-Amino-4-(3-Nitrophenyl)-4-Oxobutanoic Acid
[CAS# 153212-71-6]

Identification

• Classification: Biochemical >> Amino acids and their derivatives >> Alanine derivatives
• Name: 2-Amino-4-(3-Nitrophenyl)-4-Oxobutanoic Acid
• Synonyms: 2-Amino-4-(3-Nitrophenyl)-4-Oxo-Butanoic Acid; 2-Amino-4-Keto-4-(3-Nitrophenyl)Butyric Acid; (3-Nitrobenzoyl)Alanine
• Molecular Formula: C₁₀H₁₀N₂O₅
• Molecular Weight: 238.20
• CAS Registry Number: 153212-71-6
• SMILES: C1=C(C=CC=C1C(CC(C(O)=O)N)=O)[N+](=O)[O-]
• InChI: 1S/C10H10N2O5/c11-8(10(14)15)5-9(13)6-2-1-3-7(4-6)12(16)17/h1-4,8H,5,11H2,(H,14,15)
• InChIKey: KBJZPNMDKSNLIZ-UHFFFAOYSA-N

Properties

• Density: 1.448g/cm³ (Cal.)
• Boiling point: 444.27°C at 760 mmHg (Cal.)
• Flash point: 222.487°C (Cal.)