4-Cyano-N-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Phenylalanine
[CAS# 135414-03-8]

Identification

• Name: 4-Cyano-N-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Phenylalanine
• Synonyms: (R)-N-BOC-4-CYANOPHENYLALANINE; (S)-2-((tert-butoxycarbonyl)amino)-3-(4-cyanophenyl)propanoic acid
• Molecular Formula: C₁₅H₁₈N₂O₄
• Molecular Weight: 290.31
• CAS Registry Number: 135414-03-8
• SMILES: O=C(OC(C)(C)C)NC(C(=O)O)Cc1ccc(C#N)cc1
• InChI: 1S/C15H18N2O4/c1-15(2,3)21-14(20)17-12(13(18)19)8-10-4-6-11(9-16)7-5-10/h4-7,12H,8H2,1-3H3,(H,17,20)(H,18,19)
• InChIKey: RMBLTLXJGNILPG-UHFFFAOYSA-N

Properties

• Density: 1.223g/cm³ (Cal.)
• Boiling point: 494.046°C at 760 mmHg (Cal.)
• Flash point: 252.59°C (Cal.)
• Refractive index: 1.549 (Cal.)