(3S)-3-(3,5-Dimethoxyphenyl)-3-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)Propanoic Acid
[CAS# 499995-85-6]

Identification

• Name: (3S)-3-(3,5-Dimethoxyphenyl)-3-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)Propanoic Acid
• Synonyms: Boc-(S)-3-amino-3-(3,5-dimethoxyphenyl)propionic acid; Boc-(S)-3-Amino-3-(3,5-dimethoxy-phenyl)-propionic acid; Boc-(S)-3-Amino-3-(3,5-dimethoxy-phenyl)-propionicacid
• Molecular Formula: C₁₆H₂₃NO₆
• Molecular Weight: 325.36
• CAS Registry Number: 499995-85-6
• SMILES: O=C(OC(C)(C)C)N[C@H](c1cc(OC)cc(OC)c1)CC(=O)O
• InChI: 1S/C16H23NO6/c1-16(2,3)23-15(20)17-13(9-14(18)19)10-6-11(21-4)8-12(7-10)22-5/h6-8,13H,9H2,1-5H3,(H,17,20)(H,18,19)/t13-/m0/s1
• InChIKey: DNLBKBXJRJCIAH-ZDUSSCGKSA-N

Properties

• Density: 1.175g/cm³ (Cal.)
• Boiling point: 495.107°C at 760 mmHg (Cal.)
• Flash point: 253.232°C (Cal.)
• Refractive index: 1.517 (Cal.)