Methyl N-[5-(Acetylamino)-4-[(2-Bromo-4,6-Dinitrophenyl)Azo]-2-Methoxyphenyl]-N-[2-(Acetoxy)Ethyl]beta-Alaninate
[CAS# 67905-16-2]

Identification

• Name: Methyl N-[5-(Acetylamino)-4-[(2-Bromo-4,6-Dinitrophenyl)Azo]-2-Methoxyphenyl]-N-[2-(Acetoxy)Ethyl]beta-Alaninate
• Synonyms: Methyl 3-[[5-Acetamido-4-(2-Bromo-4,6-Dinitro-Phenyl)Azo-2-Methoxy-Phenyl]-(2-Acetoxyethyl)Amino]Propanoate; 3-[[5-Acetamido-4-(2-Bromo-4,6-Dinitrophenyl)Azo-2-Methoxyphenyl]-(2-Acetoxyethyl)Amino]Propanoic Acid Methyl Ester; 3-[[5-Acetamido-4-(2-Bromo-4,6-Dinitro-Phenyl)Azo-2-Methoxy-Phenyl]-(2-Acetoxyethyl)Amino]Propionic Acid Methyl Ester
• Molecular Formula: C₂₃H₂₅BrN₆O₁₀
• Molecular Weight: 625.39
• CAS Registry Number: 67905-16-2
• EINECS: 267-635-5
• SMILES: C1=C(C=C(C(=C1Br)N=NC2=C(C=C(C(=C2)OC)N(CCOC(=O)C)CCC(=O)OC)NC(=O)C)[N+]([O-])=O)[N+]([O-])=O
• InChI: 1S/C23H25BrN6O10/c1-13(31)25-17-11-19(28(6-5-22(33)39-4)7-8-40-14(2)32)21(38-3)12-18(17)26-27-23-16(24)9-15(29(34)35)10-20(23)30(36)37/h9-12H,5-8H2,1-4H3,(H,25,31)
• InChIKey: YEPMXIKNGPVWRP-UHFFFAOYSA-N

Properties

• Density: 1.559g/cm³ (Cal.)
• Boiling point: 796.731°C at 760 mmHg (Cal.)
• Flash point: 435.647°C (Cal.)