2-(3-Chlorobenzyl)-3-(methyl{[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid
[CAS# 886364-77-8]

Identification

• Name: 2-(3-Chlorobenzyl)-3-(methyl{[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid
• Synonyms: 2-[(tert-Butoxycarbonyl-methyl-amino)-methyl]-3-(3-chloro-phenyl)-propionic acid; 2-N-Boc-3-(3-Chloro-phenyl)-2-methylaminomethyl-; 2-N-Boc-3-(3-Chloro-phenyl)-2-methylaminomethyl-propionic acid
• Molecular Formula: C₁₆H₂₂ClNO₄
• Molecular Weight: 327.80
• CAS Registry Number: 886364-77-8
• SMILES: Clc1cc(CC(CN(C)C(=O)OC(C)(C)C)C(O)=O)ccc1
• InChI: 1S/C16H22ClNO4/c1-16(2,3)22-15(21)18(4)10-12(14(19)20)8-11-6-5-7-13(17)9-11/h5-7,9,12H,8,10H2,1-4H3,(H,19,20)
• InChIKey: QZYXAJKHVMWBGA-UHFFFAOYSA-N

Properties

• Density: 1.205g/cm³ (Cal.)
• Boiling point: 446°C at 760 mmHg (Cal.)
• Flash point: 223.533°C (Cal.)
• Refractive index: 1.535 (Cal.)