PE-NMe(18:1(9Z)/18:1(9Z))

Base Information

• Chemical Name: PE-NMe(18:1(9Z)/18:1(9Z))
• CAS No.: 96687-23-9
• Molecular Formula: C42H80 N O8 P
• Molecular Weight: 758.06
• DSSTox Substance ID: DTXSID601106469
• Wikidata: Q27158817
• Metabolomics Workbench ID: 15253
• Mol file: 96687-23-9.mol

Synonyms:1,2-DOPE-Me;N-methyl-1,2-dioleoyl-sn-glycero-3-phosphoethanolamine;N-methyl-1,2-dioleoylphosphatidylethanolamine

Chemical Property of PE-NMe(18:1(9Z)/18:1(9Z))

Chemical Property:

• Vapor Pressure: 2.65E-25mmHg at 25°C
• Boiling Point: 760.2°Cat760mmHg
• PKA: 1.33±0.50(Predicted)
• Flash Point: 413.6°C
• PSA: 130.20000
• Density: 0.997g/cm³
• LogP: 12.26030
• XLogP3: 11.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 42
• Exact Mass: 757.56215551
• Heavy Atom Count: 52
• Complexity: 912

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC)OC(=O)CCCCCCCC=CCCCCCCCC
• Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC)OC(=O)CCCCCCC/C=C\CCCCCCCC