beta-Alanine, N-(3-(acetylamino)-4-((2,4-dinitrophenyl)azo)phenyl)-N-(3-methoxy-3-oxopropyl)-, methyl ester

Base Information

• Chemical Name: beta-Alanine, N-(3-(acetylamino)-4-((2,4-dinitrophenyl)azo)phenyl)-N-(3-methoxy-3-oxopropyl)-, methyl ester
• CAS No.: 70729-65-6
• Molecular Formula: C22H24 N6 O9
• Molecular Weight: 516.46076
• European Community (EC) Number: 274-828-8
• DSSTox Substance ID: DTXSID0072144
• Nikkaji Number: J38.923D
• Mol file: 70729-65-6.mol

Synonyms:70729-65-6;EINECS 274-828-8;Methyl N-3-(acetylamino)-4-(2,4-dinitrophenyl)azophenyl-N-(3-methoxy-3-oxopropyl)-alaninate;.beta.-Alanine, N-[3-(acetylamino)-4-[(2,4-dinitrophenyl)azo]phenyl]-N-(3-methoxy-3-oxopropyl)-, methyl ester;beta-Alanine, N-(3-(acetylamino)-4-((2,4-dinitrophenyl)azo)phenyl)-N-(3-methoxy-3-oxopropyl)-, methyl ester;beta-Alanine, N-(3-(acetylamino)-4-(2-(2,4-dinitrophenyl)diazenyl)phenyl)-N-(3-methoxy-3-oxopropyl)-, methyl ester;Methyl N-(3-(acetylamino)-4-((2,4-dinitrophenyl)azo)phenyl)-N-(3-methoxy-3-oxopropyl)-beta-alaninate;N-(3-(Acetylamino)-4-((2,4-dinitrophenyl)azo)phenyl)-N-(2-(methoxycarbonyl)ethyl)-beta-alanine, methyl ester;Methyl N-[3-(acetylamino)-4-[(2,4-dinitrophenyl)azo]phenyl]-N-(3-methoxy-3-oxopropyl)-beta-alaninate;DTXSID0072144;SCHEMBL10345048;3,3'-[N-[3-Acetylamino-4-(2,4-dinitrophenylazo)phenyl]imino]dipropionic acid dimethyl ester

Chemical Property of beta-Alanine, N-(3-(acetylamino)-4-((2,4-dinitrophenyl)azo)phenyl)-N-(3-methoxy-3-oxopropyl)-, methyl ester

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 12
• Exact Mass: 516.16047636
• Heavy Atom Count: 37
• Complexity: 839

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)NC1=C(C=CC(=C1)N(CCC(=O)OC)CCC(=O)OC)N=NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]