sec-Octyl 5-oxo-L-prolinate

Base Information

• Chemical Name: sec-Octyl 5-oxo-L-prolinate
• CAS No.: 54471-44-2
• Molecular Formula: C13H23NO3
• Molecular Weight: 241.32662
• European Community (EC) Number: 259-176-4
• DSSTox Substance ID: DTXSID10969639
• Mol file: 54471-44-2.mol

Synonyms:sec-Octyl 5-oxo-L-prolinate;EINECS 259-176-4;54471-44-2;DTXSID10969639;Octan-2-yl 5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylate

Chemical Property of sec-Octyl 5-oxo-L-prolinate

Chemical Property:

• Vapor Pressure: 5.67E-06mmHg at 25°C
• Refractive Index: 1.467
• Boiling Point: 379.9 °C at 760 mmHg
• Flash Point: 183.5 °C
• PSA: 58.89000
• Density: 1.027 g/cm³
• LogP: 2.44300
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 241.16779360
• Heavy Atom Count: 17
• Complexity: 265

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(C)OC(=O)C1CCC(=O)N1
• Isomeric SMILES: CCCCCCC(C)OC(=O)[C@@H]1CCC(=O)N1