Einecs 258-113-8

Base Information

• Chemical Name: Einecs 258-113-8
• CAS No.: 52704-29-7
• Molecular Formula: C12H22N4O6
• Molecular Weight: 318.3263
• European Community (EC) Number: 258-113-8
• DSSTox Substance ID: DTXSID70200671
• Mol file: 52704-29-7.mol

Synonyms:EINECS 258-113-8;5-Oxo-L-proline, compound with ethane-1,2-diamine (2:1);52704-29-7;C5-H7-N-O3.1/2C2-H8-N2;DTXSID70200671;C5H7NO3.1/2C2H8N2

Chemical Property of Einecs 258-113-8

Chemical Property:

• Vapor Pressure: 1.79E-09mmHg at 25°C
• Boiling Point: 453.1°C at 760 mmHg
• Flash Point: 227.8°C
• PSA: 191.82000
• LogP: -0.44460
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 318.15393443
• Heavy Atom Count: 22
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)NC1C(=O)O.C1CC(=O)NC1C(=O)O.C(CN)N
• Isomeric SMILES: C1CC(=O)N[C@@H]1C(=O)O.C1CC(=O)N[C@@H]1C(=O)O.C(CN)N