Methyl N-(2-cyanoethyl)-N-phenyl-beta-alaninate acetate (1:1)
[CAS# 93893-66-4]

Identification

• Name: Methyl N-(2-cyanoethyl)-N-phenyl-beta-alaninate acetate (1:1)
• Synonyms: N-(2-cyanoethyl)-O-methyl-N-phenyl-β-alanine monoacetate
• Molecular Formula: C₁₅H₂₀N₂O₄
• Molecular Weight: 292.33
• CAS Registry Number: 93893-66-4
• EINECS: 299-657-6
• SMILES: CC(O)=O.COC(=O)CCN(CCC#N)c1ccccc1
• InChI: 1S/C13H16N2O2.C2H4O2/c1-17-13(16)8-11-15(10-5-9-14)12-6-3-2-4-7-12;1-2(3)4/h2-4,6-7H,5,8,10-11H2,1H3;1H3,(H,3,4)
• InChIKey: GFRRNHZVFCFETR-UHFFFAOYSA-N

Properties

• Boiling point: 504.1°C at 760 mmHg (Cal.)
• Flash point: 258.7°C (Cal.)