3-(4-Hydroxyphenyl)-3-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)Propanoic Acid
[CAS# 499995-80-1]

Identification

• Classification: Biochemical >> Amino acids and their derivatives >> BOC-amino acid
• Name: 3-(4-Hydroxyphenyl)-3-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)Propanoic Acid
• Synonyms: 3-((tert-butoxycarbonyl)amino)-3-(4-hydroxyphenyl)propanoic acid; 3-[(tert-Butoxycarbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid; Boc-(R)-3-Amino-3-(3-hydroxyphenyl)propionic acid
• Molecular Formula: C₁₄H₁₉NO₅
• Molecular Weight: 281.30
• CAS Registry Number: 499995-80-1
• SMILES: O=C(OC(C)(C)C)NC(c1ccc(O)cc1)CC(=O)O
• InChI: 1S/C14H19NO5/c1-14(2,3)20-13(19)15-11(8-12(17)18)9-4-6-10(16)7-5-9/h4-7,11,16H,8H2,1-3H3,(H,15,19)(H,17,18)
• InChIKey: VHBNWQLIRVDMMR-UHFFFAOYSA-N

Properties

• Density: 1.237g/cm³ (Cal.)
• Melting point: 143-145°C (Expl.)
• Boiling point: 476.697°C at 760 mmHg (Cal.)
• Flash point: 242.098°C (Cal.)
• Refractive index: 1.549 (Cal.)

Safety Data

• Safety Description: IRRITANT