4-(2-Methyl-2-Propanyl) 1-(4-Nitrophenyl) N-[(Benzyloxy)Carbonyl]-L-Aspartate
[CAS# 17543-17-8]

Identification

• Name: 4-(2-Methyl-2-Propanyl) 1-(4-Nitrophenyl) N-[(Benzyloxy)Carbonyl]-L-Aspartate
• Synonyms: (S)-4-tert-Butyl 1-(4-nitrophenyl) 2-(((benzyloxy)carbonyl)amino)succinate; (S)-4-tert-Butyl 1-(4-nitrophenyl)-2-(((benzyloxy)carbonyl)amino)succinate; 4-(2-Methyl-2-propanyl) 1-(4-nitrophenyl) N-[(benzyloxy)carbonyl]-L-aspartate
• Molecular Formula: C₂₂H₂₄N₂O₈
• Molecular Weight: 444.43
• CAS Registry Number: 17543-17-8
• SMILES: CC(C)(C)OC(=O)C[C@@H](C(=O)Oc1ccc(cc1)[N+](=O)[O-])NC(=O)OCc2ccccc2
• InChI: 1S/C22H24N2O8/c1-22(2,3)32-19(25)13-18(23-21(27)30-14-15-7-5-4-6-8-15)20(26)31-17-11-9-16(10-12-17)24(28)29/h4-12,18H,13-14H2,1-3H3,(H,23,27)/t18-/m0/s1
• InChIKey: KAURUWJRWPNSJD-SFHVURJKSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 609.9±55.0°C at 760 mmHg (Cal.)
• Flash point: 322.6±31.5°C (Cal.)
• Refractive index: 1.562 (Cal.)

Safety Data

• Safety Description: IRRITANT