N-Butyryl-DL-aspartic acid

Base Information

• Chemical Name: N-Butyryl-DL-aspartic acid
• CAS No.: 1116-09-2
• Molecular Formula: C8H13 N O5
• Molecular Weight: 203.1925
• DSSTox Substance ID: DTXSID00912235
• Nikkaji Number: J438.128I
• Wikidata: Q76010274
• Mol file: 1116-09-2.mol

Synonyms:n-butanoyl-l-aspartic acid;N-Butyryl-DL-aspartic acid;BRN 4311125;N-(1-Oxobutyl)-DL-aspartic acid;DL-Aspartic acid, N-(1-oxobutyl)-;130056-59-6;1116-09-2;N-(1-Oxobutyl)-L-aspartic acid;L-Aspartic acid, N-(1-oxobutyl)-;SCHEMBL12426671;DTXSID00912235;N-(1-Hydroxybutylidene)aspartic acid;AKOS020220772

Chemical Property of N-Butyryl-DL-aspartic acid

Chemical Property:

• Vapor Pressure: 1.69E-08mmHg at 25°C
• Boiling Point: 427.3°Cat760mmHg
• Flash Point: 212.2°C
• Density: 1.301g/cm³
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 203.07937252
• Heavy Atom Count: 14
• Complexity: 238

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCC(=O)NC(CC(=O)O)C(=O)O
• Isomeric SMILES: CCCC(=O)N[C@@H](CC(=O)O)C(=O)O