2-(4-Chlorobenzyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid
[CAS# 886366-43-4]

Identification

• Name: 2-(4-Chlorobenzyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid
• Synonyms: 2-(4-Chlorobenzyl)-3-(Boc-amino)propionic acid; 2-(tert-Butoxycarbonylamino-methyl)-3-(4-chloro-phenyl)-propionic acid; 2-N-Boc-2-Aminomethyl-3-(4-chloro-phenyl)-
• Molecular Formula: C₁₅H₂₀ClNO₄
• Molecular Weight: 313.78
• CAS Registry Number: 886366-43-4
• SMILES: CC(C)(C)OC(=O)NCC(CC1=CC=C(C=C1)Cl)C(=O)O
• InChI: 1S/C15H20ClNO4/c1-15(2,3)21-14(20)17-9-11(13(18)19)8-10-4-6-12(16)7-5-10/h4-7,11H,8-9H2,1-3H3,(H,17,20)(H,18,19)
• InChIKey: DJJSHFXWIZOOFF-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 466.5±40.0°C at 760 mmHg (Cal.)
• Flash point: 235.9±27.3°C (Cal.)
• Refractive index: 1.535 (Cal.)