beta-Alanine, N-[3-(acetylamino)phenyl]-N-(3-methoxy-3-oxopropyl)-, methyl ester

Base Information

• Chemical Name: beta-Alanine, N-[3-(acetylamino)phenyl]-N-(3-methoxy-3-oxopropyl)-, methyl ester
• CAS No.: 61038-96-8
• Molecular Formula: C16H22 N2 O5
• Molecular Weight: 322.36
• European Community (EC) Number: 262-565-1
• DSSTox Substance ID: DTXSID2069442
• Nikkaji Number: J268.371G
• Wikidata: Q72446168
• Mol file: 61038-96-8.mol

Synonyms:61038-96-8;methyl 3-(3-acetamido-N-(3-methoxy-3-oxopropyl)anilino)propanoate;EINECS 262-565-1;beta-Alanine, N-[3-(acetylamino)phenyl]-N-(3-methoxy-3-oxopropyl)-, methyl ester;.beta.-Alanine, N-[3-(acetylamino)phenyl]-N-(3-methoxy-3-oxopropyl)-, methyl ester;beta-Alanine, N-(3-(acetylamino)phenyl)-N-(3-methoxy-3-oxopropyl)-, methyl ester;N-(3-(Acetylamino)phenyl)-N-(2-carboxyethyl)-beta-alanine, dimethyl ester;b-Alanine, N-[3-(acetylamino)phenyl]-N-(3-methoxy-3-oxopropyl)-,methyl ester;3-[N,N-Bis(methoxycarbonylethyl)]amino-acetanilide;Methyl N-(3-(acetylamino)phenyl)-N-(3-methoxy-3-oxopropyl)-beta-alaninate;Methyl N-[3-(acetylamino)phenyl]-N-(3-methoxy-3-oxopropyl)-beta-alaninate;DTXSID2069442;SCHEMBL11021269;methyl 3-(3-acetamido-N-(3-methoxy-3-oxo-propyl)anilino)propanoate;AKOS015890522;FT-0613831;3-(N,N-Dimethoxycarbonylethyl) amino acetanilide;A833017;W-105207;3-(3-acetamido-N-(3-methoxy-3-oxopropyl)anilino)propanoic acid methyl ester;N-[3-(Acetylamino)phenyl]-N-(3-methoxy-3-oxopropyl)-beta-alanine methyl ester

Chemical Property of beta-Alanine, N-[3-(acetylamino)phenyl]-N-(3-methoxy-3-oxopropyl)-, methyl ester

Chemical Property:

• Boiling Point: 511.7 °C at 760 mmHg
• PKA: 14.89±0.70(Predicted)
• Flash Point: 263.3 °C
• PSA: 84.94000
• Density: 1.209 g/cm³
• LogP: 1.65060
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 322.15287181
• Heavy Atom Count: 23
• Complexity: 393

Purity/Quality:

99% ^*data from raw suppliers

3-(N,N-Dimethoxycarbonylethyl)amino acetanilineacetaminophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC(=CC=C1)N(CCC(=O)OC)CCC(=O)OC