(2S)-3-Cyano-2-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)Propanoic Acid
[CAS# 229028-67-5]

Identification

• Name: (2S)-3-Cyano-2-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)Propanoic Acid
• Synonyms: (S)-2-((tert-butoxycarbonyl)amino)-3-cyanopropanoic acid; Boc-β-Cyano-Ala-Oh; BOC-β-CYANO-D-ALA-OH
• Molecular Formula: C₉H₁₄N₂O₄
• Molecular Weight: 214.22
• CAS Registry Number: 229028-67-5
• SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)O)CC#N
• InChI: 1S/C9H14N2O4/c1-9(2,3)15-8(14)11-6(4-5-10)7(12)13/h6H,4H2,1-3H3,(H,11,14)(H,12,13)/t6-/m0/s1
• InChIKey: IVKMLPKBZQTAMQ-LURJTMIESA-N

Properties

• Density: 1.205g/cm³ (Cal.)
• Boiling point: 408.624°C at 760 mmHg (Cal.)
• Flash point: 200.929°C (Cal.)
• Refractive index: 1.48 (Cal.)

Safety Data

• Safety Description: IRRITANT