3-Nitrilo-N-(phenylacetyl)alanine
[CAS# 859914-45-7]

Identification

• Name: 3-Nitrilo-N-(phenylacetyl)alanine
• Synonyms: 2-cyano-2-(2-phenylacetamido)acetic acid
• Molecular Formula: C₁₁H₁₀N₂O₃
• Molecular Weight: 218.21
• CAS Registry Number: 859914-45-7
• SMILES: c1ccc(cc1)CC(=O)NC(C#N)C(=O)O
• InChI: 1S/C11H10N2O3/c12-7-9(11(15)16)13-10(14)6-8-4-2-1-3-5-8/h1-5,9H,6H2,(H,13,14)(H,15,16)
• InChIKey: FQERAZYINCLREN-UHFFFAOYSA-N

Properties

• Density: 1.314g/cm³ (Cal.)
• Boiling point: 519.811°C at 760 mmHg (Cal.)
• Flash point: 268.172°C (Cal.)
• Refractive index: 1.573 (Cal.)