Dotap

Base Information

• Chemical Name: Dotap
• CAS No.: 113669-21-9
• Molecular Formula: C42H80 N O4
• Molecular Weight: 663.0889
• UNII: MR86K0XRQP
• DSSTox Substance ID: DTXSID501029587
• Nikkaji Number: J260.475B
• Wikipedia: Dioleoyl-3-trimethylammonium_propane
• Wikidata: Q27284189
• ChEMBL ID: CHEMBL1180576
• Mol file: 113669-21-9.mol

Synonyms:1,2-dioleoyl-3-trimethylammoniumpropane;1,2-dioleoyl-3-trimethylpropanammonium;1,2-dioleoyloxy-3-(trimethylammonium)propane;1,2-DOTAP;DOTAP;N,N,N-trimethyl-2,3-bis((-1-oxo-octadecenyl)oxy)-(Z,Z)-1-propanaminium;N-(1-(2,3-dioleoyloxy)propyl)-N,N,N-trimethylammonium methylsulfate

Chemical Property of Dotap

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 52.60000
• Density: g/cm³
• LogP: 12.22260
• XLogP3: 15.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 37
• Exact Mass: 662.60873503
• Heavy Atom Count: 47
• Complexity: 754

Purity/Quality:

99%min ^*data from raw suppliers

1,2-DIOLEOYLOXY-3-(TRIMETHYLAMMONIUM)PROPANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Other Nitrogen Compounds
• Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(C[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC
• Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCC(C[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC