(4-Nitrophenyl) (2S)-3-Phenyl-2-(Phenylmethoxycarbonylamino)Propanoate
[CAS# 2578-86-1]

Identification

• Name: (4-Nitrophenyl) (2S)-3-Phenyl-2-(Phenylmethoxycarbonylamino)Propanoate
• Synonyms: (2S)-2-[[Oxo-(Phenylmethoxy)Methyl]Amino]-3-Phenylpropanoic Acid (4-Nitrophenyl) Ester; (2S)-2-(Benzyloxycarbonylamino)-3-Phenyl-Propionic Acid (4-Nitrophenyl) Ester; 97022_Fluka
• Molecular Formula: C₂₃H₂₀N₂O₆
• Molecular Weight: 420.42
• CAS Registry Number: 2578-86-1
• SMILES: [C@@H](NC(OCC1=CC=CC=C1)=O)(C(OC2=CC=C([N+]([O-])=O)C=C2)=O)CC3=CC=CC=C3
• InChI: 1S/C23H20N2O6/c26-22(31-20-13-11-19(12-14-20)25(28)29)21(15-17-7-3-1-4-8-17)24-23(27)30-16-18-9-5-2-6-10-18/h1-14,21H,15-16H2,(H,24,27)/t21-/m0/s1
• InChIKey: TVENQUPLPBPLGU-NRFANRHFSA-N

Properties

• Density: 1.304g/cm³ (Cal.)
• Boiling point: 626.193°C at 760 mmHg (Cal.)
• Flash point: 332.51°C (Cal.)