Methyl N-(3-(acetylamino)-4-((2,4-dinitrophenyl)azo)phenyl)-N-(3-methoxy-3-oxopropyl)-beta-alaninate
[CAS# 70729-65-6]

Identification

• Name: Methyl N-(3-(acetylamino)-4-((2,4-dinitrophenyl)azo)phenyl)-N-(3-methoxy-3-oxopropyl)-beta-alaninate
• Synonyms: Methyl 3-[[3-Acetamido-4-(2,4-Dinitrophenyl)Azo-Phenyl]-(3-Methoxy-3-Oxo-Propyl)Amino]Propanoate; 3-[[3-Acetamido-4-(2,4-Dinitrophenyl)Azophenyl]-(3-Methoxy-3-Oxopropyl)Amino]Propanoic Acid Methyl Ester; 3-[[3-Acetamido-4-(2,4-Dinitrophenyl)Azo-Phenyl]-(3-Keto-3-Methoxy-Propyl)Amino]Propionic Acid Methyl Ester
• Molecular Formula: C₂₂H₂₄N₆O₉
• Molecular Weight: 516.47
• CAS Registry Number: 70729-65-6
• EINECS: 274-828-8
• SMILES: C1=CC(=C(C=C1[N+]([O-])=O)[N+]([O-])=O)N=NC2=C(C=C(C=C2)N(CCC(=O)OC)CCC(=O)OC)NC(=O)C
• InChI: 1S/C22H24N6O9/c1-14(29)23-19-12-15(26(10-8-21(30)36-2)11-9-22(31)37-3)4-6-17(19)24-25-18-7-5-16(27(32)33)13-20(18)28(34)35/h4-7,12-13H,8-11H2,1-3H3,(H,23,29)
• InChIKey: FIIPIQBWGBRMTN-UHFFFAOYSA-N

Properties

• Density: 1.407g/cm³ (Cal.)
• Boiling point: 743.015°C at 760 mmHg (Cal.)
• Flash point: 403.161°C (Cal.)