Methyl N-{5-Acetamido-2-Chloro-4-[(2-Cyano-4-Nitrophenyl)Diazenyl]Phenyl}-L-Alaninate
[CAS# 157707-95-4]

Identification

• Name: Methyl N-{5-Acetamido-2-Chloro-4-[(2-Cyano-4-Nitrophenyl)Diazenyl]Phenyl}-L-Alaninate
• Synonyms: L-Alanine, N-[5-(acetylamino)-2-chloro-4-[(2-cyano-4-nitrophenyl)azo]phenyl]-, methyl ester
• Molecular Formula: C₁₉H₁₇ClN₆O₅
• Molecular Weight: 444.83
• CAS Registry Number: 157707-95-4
• SMILES: C[C@@H](C(=O)OC)Nc1cc(c(cc1Cl)N=Nc2ccc(cc2C#N)[N+](=O)[O-])NC(=O)C
• InChI: 1S/C19H17ClN6O5/c1-10(19(28)31-3)22-16-8-17(23-11(2)27)18(7-14(16)20)25-24-15-5-4-13(26(29)30)6-12(15)9-21/h4-8,10,22H,1-3H3,(H,23,27)/t10-/m0/s1
• InChIKey: OSFDOYUNRKPBOO-JTQLQIEISA-N

Properties

• Density: 1.435g/cm³ (Cal.)
• Boiling point: 709.363°C at 760 mmHg (Cal.)
• Flash point: 382.809°C (Cal.)
• Refractive index: 1.642 (Cal.)