(3S)-3-(2-Hydroxyphenyl)-3-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)Propanoic Acid
[CAS# 499995-78-7]

Identification

• Name: (3S)-3-(2-Hydroxyphenyl)-3-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)Propanoic Acid
• Synonyms: (S)-3-((tert-Butoxycarbonyl)amino)-3-(2-hydroxyphenyl)propanoic acid; (S)-3-TERT-BUTOXYCARBONYLAMINO-3-(2-HYDROXY-PHENYL)-PROPIONIC ACID; Boc-(S)-3-amino-3-(2-hydroxyphenyl)propionic acid
• Molecular Formula: C₁₄H₁₉NO₅
• Molecular Weight: 281.30
• CAS Registry Number: 499995-78-7
• SMILES: O=C(OC(C)(C)C)N[C@H](c1ccccc1O)CC(=O)O
• InChI: 1S/C14H19NO5/c1-14(2,3)20-13(19)15-10(8-12(17)18)9-6-4-5-7-11(9)16/h4-7,10,16H,8H2,1-3H3,(H,15,19)(H,17,18)/t10-/m0/s1
• InChIKey: KWISQTDJMMIQCM-JTQLQIEISA-N

Properties

• Density: 1.237g/cm³ (Cal.)
• Boiling point: 472.092°C at 760 mmHg (Cal.)
• Flash point: 239.313°C (Cal.)
• Refractive index: 1.549 (Cal.)