1-(Docos-13-enyl)-5-oxopyrrolidine-3-carboxylic acid

Base Information

• Chemical Name: 1-(Docos-13-enyl)-5-oxopyrrolidine-3-carboxylic acid
• CAS No.: 94108-45-9
• Molecular Formula: C27H49 N O3
• Molecular Weight: 435.68286
• European Community (EC) Number: 302-385-3
• Nikkaji Number: J318.733K
• Mol file: 94108-45-9.mol

Synonyms:94108-45-9;1-(Docos-13-enyl)-5-oxopyrrolidine-3-carboxylic acid;EINECS 302-385-3;1-(DOCOS-13-EN-1-YL)-5-OXOPYRROLIDINE-3-CARBOXYLIC ACID;C27H49NO3;C27-H49-N-O3;1-(13-Docosenyl)-5-oxo-3-pyrrolidinecarboxylic acid

Chemical Property of 1-(Docos-13-enyl)-5-oxopyrrolidine-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 8.4E-15mmHg at 25°C
• Boiling Point: 576.7°Cat760mmHg
• Flash Point: 302.6°C
• PSA: 57.61000
• Density: 0.968g/cm³
• LogP: 7.45530
• XLogP3: 9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 21
• Exact Mass: 435.37124443
• Heavy Atom Count: 31
• Complexity: 489

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC=CCCCCCCCCCCCCN1CC(CC1=O)C(=O)O
• Isomeric SMILES: CCCCCCCC/C=C/CCCCCCCCCCCCN1CC(CC1=O)C(=O)O