3-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)-3-(4-Nitrophenyl)Propanoic Acid
[CAS# 172833-36-2]

Identification

• Name: 3-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)-3-(4-Nitrophenyl)Propanoic Acid
• Synonyms: (R)-3-Boc-Amino-3-(4-nitrophenyl)propionic acid; Boc-(S)-3-amino-3-(4-nitrophenyl)propionic acid; Boc-R-3-Amino-3-(4-nitro-phenyl)-propionic acid
• Molecular Formula: C₁₄H₁₈N₂O₆
• Molecular Weight: 310.30
• CAS Registry Number: 172833-36-2
• SMILES: [O-][N+](=O)c1ccc(cc1)C(NC(=O)OC(C)(C)C)CC(=O)O
• InChI: 1S/C14H18N2O6/c1-14(2,3)22-13(19)15-11(8-12(17)18)9-4-6-10(7-5-9)16(20)21/h4-7,11H,8H2,1-3H3,(H,15,19)(H,17,18)
• InChIKey: JLVLDNCAYKCLCI-UHFFFAOYSA-N

Properties

• Density: 1.288g/cm³ (Cal.)
• Melting point: 146-148°C (Expl.)
• Boiling point: 502.97°C at 760 mmHg (Cal.)
• Flash point: 257.987°C (Cal.)
• Refractive index: 1.553 (Cal.)