Methyl 4-(benzylamino)-4-oxobutanoate

Base Information

• Chemical Name: Methyl 4-(benzylamino)-4-oxobutanoate
• CAS No.: 5104-87-0
• Molecular Formula: C20H29 N5 O18 P2 S
• Molecular Weight: 221.2524
• DSSTox Substance ID: DTXSID10366124
• Wikidata: Q82151221
• Mol file: 5104-87-0.mol

Synonyms:methyl 4-(benzylamino)-4-oxobutanoate;5104-87-0;CBMicro_020224;DTXSID10366124;CCG-5032;methyl 3-(benzylcarbamoyl)propanoate;STK031896;AKOS000344110;NCGC00322331-01;BIM-0020400.P001;AB01317247-02;SR-01000195259;SR-01000195259-1;Z57201893

Chemical Property of Methyl 4-(benzylamino)-4-oxobutanoate

Chemical Property:

• Vapor Pressure: 2.86E-07mmHg at 25°C
• Boiling Point: 420.2°Cat760mmHg
• Flash Point: 207.9°C
• Density: 1.119g/cm³
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 221.10519334
• Heavy Atom Count: 16
• Complexity: 234

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCC(=O)NCC1=CC=CC=C1