(3S)-3-(2,3-Dichlorophenyl)-3-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)Propanoic Acid
[CAS# 499995-82-3]

Identification

• Classification: Biochemical >> Amino acids and their derivatives >> BOC-amino acid
• Name: (3S)-3-(2,3-Dichlorophenyl)-3-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)Propanoic Acid
• Synonyms: (S)-3-((tert-Butoxycarbonyl)amino)-3-(2,3-dichlorophenyl)propanoic acid; Boc-(S)-3-Amino-3-(2,3-dichloro-phenyl)-propionic acid; BOC-(S)-3-AMINO-3-(2,3-DICHLORO-PHENYL)-PROPIONICACID
• Molecular Formula: C₁₄H₁₇Cl₂NO₄
• Molecular Weight: 334.20
• CAS Registry Number: 499995-82-3
• SMILES: Clc1c(cccc1Cl)[C@@H](NC(=O)OC(C)(C)C)CC(=O)O
• InChI: 1S/C14H17Cl2NO4/c1-14(2,3)21-13(20)17-10(7-11(18)19)8-5-4-6-9(15)12(8)16/h4-6,10H,7H2,1-3H3,(H,17,20)(H,18,19)/t10-/m0/s1
• InChIKey: KGXWCCCBQSYUKL-JTQLQIEISA-N

Properties

• Density: 1.321g/cm³ (Cal.)
• Boiling point: 468.939°C at 760 mmHg (Cal.)
• Flash point: 237.406°C (Cal.)
• Refractive index: 1.548 (Cal.)