beta-Alanine, N-[3-(acetylamino)-4-[(2-cyano-4-nitrophenyl)azo]phenyl]-N-ethyl-, methyl ester

Base Information

• Chemical Name: beta-Alanine, N-[3-(acetylamino)-4-[(2-cyano-4-nitrophenyl)azo]phenyl]-N-ethyl-, methyl ester
• CAS No.: 72595-17-6
• Molecular Formula: C21H22 N6 O5
• Molecular Weight: 438.43658
• European Community (EC) Number: 276-727-4
• DSSTox Substance ID: DTXSID8072580
• Nikkaji Number: J296.327B
• Mol file: 72595-17-6.mol

Synonyms:72595-17-6;EINECS 276-727-4;.beta.-Alanine, N-[3-(acetylamino)-4-[(2-cyano-4-nitrophenyl)azo]phenyl]-N-ethyl-, methyl ester;Methyl N-(3-(acetylamino)-4-((2-cyano-4-nitrophenyl)azo)phenyl)-N-ethyl-beta-alaninate;Benzenamine, 4-((4-nitro-2-cyanophenyl)azo)-3-(acetylamino)-N-(2-(methoxycarbonyl)ethyl)-N-ethyl-;beta-Alanine, N-(3-(acetylamino)-4-((2-cyano-4-nitrophenyl)azo)phenyl)-N-ethyl-, methyl ester;beta-Alanine, N-(3-(acetylamino)-4-(2-(2-cyano-4-nitrophenyl)diazenyl)phenyl)-N-ethyl-, methyl ester;Methyl N-[3-(acetylamino)-4-[(2-cyano-4-nitrophenyl)azo]phenyl]-N-ethyl-beta-alaninate;DTXSID8072580;N-[3-(Acetylamino)-4-(2-cyano-4-nitrophenylazo)phenyl]-N-ethyl-beta-alanine methyl ester

Chemical Property of beta-Alanine, N-[3-(acetylamino)-4-[(2-cyano-4-nitrophenyl)azo]phenyl]-N-ethyl-, methyl ester

Chemical Property:

• Boiling Point: 699.4oC at 760 mmHg
• Flash Point: 376.8oC
• PSA: 156.46000
• Density: 1.29g/cm3
• LogP: 5.40238
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 438.16516782
• Heavy Atom Count: 32
• Complexity: 745

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CCC(=O)OC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)NC(=O)C