N-(2-Cyanoethyl)-L-Alanyl-L-Alanine
[CAS# 106659-81-8]

Identification

• Name: N-(2-Cyanoethyl)-L-Alanyl-L-Alanine
• Synonyms: (S)-2-((S)-2-((2-cyanoethyl)amino)propanamido)propanoic acid
• Molecular Formula: C₉H₁₅N₃O₃
• Molecular Weight: 213.23
• CAS Registry Number: 106659-81-8
• SMILES: C[C@@H](C(=O)N[C@@H](C)C(=O)O)NCCC#N
• InChI: 1S/C9H15N3O3/c1-6(11-5-3-4-10)8(13)12-7(2)9(14)15/h6-7,11H,3,5H2,1-2H3,(H,12,13)(H,14,15)/t6-,7-/m0/s1
• InChIKey: VFGWTGIGAIZRRA-BQBZGAKWSA-N

Properties

• Density: 1.181g/cm³ (Cal.)
• Boiling point: 504.717°C at 760 mmHg (Cal.)
• Flash point: 259.044°C (Cal.)
• Refractive index: 1.492 (Cal.)