N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]hexadecanamide

Base Information

• Chemical Name: N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]hexadecanamide
• CAS No.: 124787-56-0
• Molecular Formula: C₃₄H₆₅NO₃
• Molecular Weight: 535.895
• Nikkaji Number: J1.177.504G
• Metabolomics Workbench ID: 175186
• Mol file: 124787-56-0.mol

Synonyms:simumeramide

Chemical Property of N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]hexadecanamide

Chemical Property:

• Vapor Pressure: 3.98E-21mmHg at 25°C
• Boiling Point: 675.2°C at 760 mmHg
• Flash Point: 362.1°C
• Density: 0.926g/cm³
• XLogP3: 11.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 29
• Exact Mass: 535.49644494
• Heavy Atom Count: 38
• Complexity: 546

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)NC(CO)C(C=CCCC=CCCCCCCCCC)O
• Isomeric SMILES: CCCCCCCCCCCCCCCC(=O)NC(CO)C(/C=C/CC/C=C/CCCCCCCCC)O

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