(3S)-3-(2,3-Dimethoxyphenyl)-3-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)Propanoic Acid
[CAS# 499995-83-4]

Identification

• Name: (3S)-3-(2,3-Dimethoxyphenyl)-3-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)Propanoic Acid
• Synonyms: Boc-(S)-3-amino-3-(2,3-dimethoxyphenyl)propionic acid; Boc-(S)-3-Amino-3-(2,3-dimethoxy-phenyl)-propionic acid
• Molecular Formula: C₁₆H₂₃NO₆
• Molecular Weight: 325.36
• CAS Registry Number: 499995-83-4
• SMILES: O=C(OC(C)(C)C)N[C@H](c1cccc(OC)c1OC)CC(=O)O
• InChI: 1S/C16H23NO6/c1-16(2,3)23-15(20)17-11(9-13(18)19)10-7-6-8-12(21-4)14(10)22-5/h6-8,11H,9H2,1-5H3,(H,17,20)(H,18,19)/t11-/m0/s1
• InChIKey: DMWARYCUBBJWKQ-NSHDSACASA-N

Properties

• Density: 1.175g/cm³ (Cal.)
• Boiling point: 486.838°C at 760 mmHg (Cal.)
• Flash point: 248.231°C (Cal.)
• Refractive index: 1.517 (Cal.)