N-Phenylacetoaminomethylene-DL-p-nitrophenylalanine
[CAS# 70172-42-8]

Identification

• Name: N-Phenylacetoaminomethylene-DL-p-nitrophenylalanine
• Synonyms: (2S)-3-(4-Nitrophenyl)-2-[[(1-Oxo-2-Phenylethyl)Amino]Methylamino]Propanoic Acid; (2S)-3-(4-Nitrophenyl)-2-[[(2-Phenylacetyl)Amino]Methylamino]Propionic Acid; (2S)-3-(4-Nitrophenyl)-2-[(2-Phenylethanoylamino)Methylamino]Propanoic Acid
• Molecular Formula: C₁₈H₁₉N₃O₅
• Molecular Weight: 357.37
• CAS Registry Number: 70172-42-8
• SMILES: [C@H](NCNC(=O)CC1=CC=CC=C1)(CC2=CC=C([N+]([O-])=O)C=C2)C(=O)O
• InChI: 1S/C18H19N3O5/c22-17(11-13-4-2-1-3-5-13)20-12-19-16(18(23)24)10-14-6-8-15(9-7-14)21(25)26/h1-9,16,19H,10-12H2,(H,20,22)(H,23,24)/t16-/m0/s1
• InChIKey: MALANEHOOMRDSZ-INIZCTEOSA-N

Properties

• Density: 1.321g/cm³ (Cal.)
• Boiling point: 647.266°C at 760 mmHg (Cal.)
• Flash point: 345.254°C (Cal.)