4-Nitrophenyl N⁵-Carbamoyl-N²-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-L-Ornithinate
[CAS# 56612-88-5]

Identification

• Name: 4-Nitrophenyl N⁵-Carbamoyl-N²-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-L-Ornithinate
• Synonyms: BOC-CIT-ONP
• Molecular Formula: C₁₇H₂₄N₄O₇
• Molecular Weight: 396.40
• CAS Registry Number: 56612-88-5
• SMILES: CC(C)(C)OC(=O)N[C@@H](CCCNC(=O)N)C(=O)OC1=CC=C(C=C1)[N+](=O)[O-]
• InChI: 1S/C17H24N4O7/c1-17(2,3)28-16(24)20-13(5-4-10-19-15(18)23)14(22)27-12-8-6-11(7-9-12)21(25)26/h6-9,13H,4-5,10H2,1-3H3,(H,20,24)(H3,18,19,23)/t13-/m0/s1
• InChIKey: PMMYKHSVTAQXLJ-ZDUSSCGKSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 588.7±50.0°C at 760 mmHg (Cal.)
• Flash point: 309.9±30.1°C (Cal.)