2-(3-Chlorobenzyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid
[CAS# 886364-85-8]

Identification

• Name: 2-(3-Chlorobenzyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid
• Synonyms: 2-(tert-Butoxycarbonylamino-methyl)-3-(3-chloro-phenyl)-propionic acid; 2-N-Boc-2-aminomethyl-3-(3-chloro-phenyl)-; 2-N-Boc-2-aminomethyl-3-(3-chloro-phenyl)-propionic acid
• Molecular Formula: C₁₅H₂₀ClNO₄
• Molecular Weight: 313.78
• CAS Registry Number: 886364-85-8
• SMILES: Clc1cc(CC(CNC(=O)OC(C)(C)C)C(O)=O)ccc1
• InChI: 1S/C15H20ClNO4/c1-15(2,3)21-14(20)17-9-11(13(18)19)7-10-5-4-6-12(16)8-10/h4-6,8,11H,7,9H2,1-3H3,(H,17,20)(H,18,19)
• InChIKey: GCTKONJNNXRNQF-UHFFFAOYSA-N

Properties

• Density: 1.22g/cm³ (Cal.)
• Boiling point: 466.46°C at 760 mmHg (Cal.)
• Flash point: 235.907°C (Cal.)
• Refractive index: 1.534 (Cal.)