beta-Methyl-N-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Phenylalanine
[CAS# 198493-85-5]

Identification

• Classification: Biochemical >> Amino acids and their derivatives >> Phenylalanine derivatives
• Name: beta-Methyl-N-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Phenylalanine
• Synonyms: (2r, 3r)/(2s, 3s)-racemic-boc-β-methyl-phenylalanine; (2R,3R)/(2S,3S)-racemic-Boc-β-methyl-phenylalanine; (2S, 3S)-Boc-β-methyl-phenylalanine
• Molecular Formula: C₁₅H₂₁NO₄
• Molecular Weight: 279.33
• CAS Registry Number: 198493-85-5
• SMILES: O=C(OC(C)(C)C)NC(C(=O)O)C(c1ccccc1)C
• InChI: 1S/C15H21NO4/c1-10(11-8-6-5-7-9-11)12(13(17)18)16-14(19)20-15(2,3)4/h5-10,12H,1-4H3,(H,16,19)(H,17,18)
• InChIKey: XFSLNPBJZAPTMM-UHFFFAOYSA-N

Properties

• Density: 1.136g/cm³ (Cal.)
• Boiling point: 426.846°C at 760 mmHg (Cal.)
• Flash point: 211.949°C (Cal.)
• Refractive index: 1.523 (Cal.)

Safety Data

• Safety Description: IRRITANT