Einecs 258-317-7

Base Information

• Chemical Name: Einecs 258-317-7
• CAS No.: 53036-49-0
• Molecular Formula: C26H42N2O7
• Molecular Weight: 494.6209
• European Community (EC) Number: 258-317-7
• DSSTox Substance ID: DTXSID70201082
• Mol file: 53036-49-0.mol

Synonyms:EINECS 258-317-7;53036-49-0;5-Oxo-L-proline, compound with dodecyl 3-hydroxy-L-tyrosinate (1:1);DTXSID70201082;C21H35NO4.C5H7NO3;C21-H35-N-O4.C5-H7-N-O3

Chemical Property of Einecs 258-317-7

Chemical Property:

• Vapor Pressure: 5.71E-11mmHg at 25°C
• Boiling Point: 508.7°Cat760mmHg
• Flash Point: 261.4°C
• PSA: 162.67000
• Density: g/cm³
• LogP: 4.75750
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 16
• Exact Mass: 494.29920168
• Heavy Atom Count: 35
• Complexity: 518

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCOC(=O)C(CC1=CC(=C(C=C1)O)O)N.C1CC(=O)NC1C(=O)O
• Isomeric SMILES: CCCCCCCCCCCCOC(=O)[C@H](CC1=CC(=C(C=C1)O)O)N.C1CC(=O)N[C@@H]1C(=O)O

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