(Z,Z)-N-[3-(9-octadecenylamino)propyl]-9-octadecenamide

Base Information

• Chemical Name: (Z,Z)-N-[3-(9-octadecenylamino)propyl]-9-octadecenamide
• CAS No.: 17081-40-2
• Molecular Formula: C39H76 N2 O
• Molecular Weight: 589.03354
• European Community (EC) Number: 241-135-7
• DSSTox Substance ID: DTXSID90884957
• Nikkaji Number: J318.344K
• Wikidata: Q82863595
• Mol file: 17081-40-2.mol

Synonyms:17081-40-2;EINECS 241-135-7;(Z,Z)-N-[3-(9-octadecenylamino)propyl]-9-octadecenamide;(Z)-N-[3-[[(Z)-octadec-9-enyl]amino]propyl]octadec-9-enamide;9-Octadecenamide, N-(3-((9Z)-9-octadecenylamino)propyl)-, (9Z)-;9-Octadecenamide, N-[3-[(9Z)-9-octadecenylamino]propyl]-, (9Z)-;9-Octadecenamide, N-(3-((9Z)-9-octadecen-1-ylamino)propyl)-, (9Z)-;(Z,Z)-N-(3-(9-Octadecenylamino)propyl)-9-octadecenamide;9-Octadecenamide, N-(3-(9-octadecenylamino)propyl)-, (Z,Z)-;9-Octadecenamide, N-[3-(9-octadecenylamino)propyl]-, (Z,Z)-;9-Octadecenamide, N-[3-[(9Z)-9-octadecen-1-ylamino]propyl]-, (9Z)-;SCHEMBL11257973;C39H76N2O;DTXSID90884957;QJRZJHNKYKBDSN-CLFAGFIQSA-N;C39-H76-N2-O;(Z)-N-[3-[(Z)-9-Octadecenylamino]propyl]-9-octadecenamide

Chemical Property of (Z,Z)-N-[3-(9-octadecenylamino)propyl]-9-octadecenamide

Chemical Property:

• Vapor Pressure: 1.06E-18mmHg at 25°C
• Boiling Point: 686.5°Cat760mmHg
• PKA: 16.30±0.46(Predicted)
• Flash Point: 83.8°C
• PSA: 44.62000
• Density: 0.873g/cm³
• LogP: 13.38850
• XLogP3: 14.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 35
• Exact Mass: 588.59576505
• Heavy Atom Count: 42
• Complexity: 571

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC=CCCCCCCCCNCCCNC(=O)CCCCCCCC=CCCCCCCCC
• Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCCNCCCNC(=O)CCCCCCC/C=C\CCCCCCCC