Methyl N-[3-(Acetylamino)-4-[(2-Chloro-4-Nitrophenyl)Azo]Phenyl]-N-(3-Methoxy-3-Oxopropyl)-beta-Alaninate
[CAS# 1260-35-1]

Identification

• Name: Methyl N-[3-(Acetylamino)-4-[(2-Chloro-4-Nitrophenyl)Azo]Phenyl]-N-(3-Methoxy-3-Oxopropyl)-beta-Alaninate
• Synonyms: Methyl 3-[[3-Acetamido-4-(2-Chloro-4-Nitro-Phenyl)Azo-Phenyl]-(3-Methoxy-3-Oxo-Propyl)Amino]Propanoate; 3-[[3-Acetamido-4-(2-Chloro-4-Nitrophenyl)Azophenyl]-(3-Methoxy-3-Oxopropyl)Amino]Propanoic Acid Methyl Ester; 3-[[3-Acetamido-4-(2-Chloro-4-Nitro-Phenyl)Azo-Phenyl]-(3-Keto-3-Methoxy-Propyl)Amino]Propionic Acid Methyl Ester
• Molecular Formula: C₂₂H₂₄ClN₅O₇
• Molecular Weight: 505.91
• CAS Registry Number: 1260-35-1
• EINECS: 215-024-9
• SMILES: C1=C(N(CCC(=O)OC)CCC(=O)OC)C=CC(=C1NC(=O)C)N=NC2=C(C=C([N+]([O-])=O)C=C2)Cl
• InChI: 1S/C22H24ClN5O7/c1-14(29)24-20-13-15(27(10-8-21(30)34-2)11-9-22(31)35-3)4-7-19(20)26-25-18-6-5-16(28(32)33)12-17(18)23/h4-7,12-13H,8-11H2,1-3H3,(H,24,29)
• InChIKey: FLXMHYAPIQKKCZ-UHFFFAOYSA-N

Properties

• Density: 1.363g/cm³ (Cal.)
• Boiling point: 707.175°C at 760 mmHg (Cal.)
• Flash point: 381.486°C (Cal.)