1-(4-methylphenyl)-3-[(9E,12E)-octadeca-9,12-dienyl]urea

Base Information

• Chemical Name: 1-(4-methylphenyl)-3-[(9E,12E)-octadeca-9,12-dienyl]urea
• CAS No.: 6964-87-0
• Molecular Formula: C26H42N2O
• Molecular Weight: 398.6245
• NSC Number: 67042
• DSSTox Substance ID: DTXSID40421538
• Wikidata: Q82233073

Synonyms:NSC67042;6964-87-0;DTXSID40421538;NSC-67042

Chemical Property of 1-(4-methylphenyl)-3-[(9E,12E)-octadeca-9,12-dienyl]urea

Chemical Property:

• Vapor Pressure: 1.11E-10mmHg at 25°C
• Boiling Point: 514.1°Cat760mmHg
• Flash Point: 117.1°C
• Density: 0.959g/cm³
• XLogP3: 8.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 16
• Exact Mass: 398.329713967
• Heavy Atom Count: 29
• Complexity: 436

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC=CCC=CCCCCCCCCNC(=O)NC1=CC=C(C=C1)C
• Isomeric SMILES: CCCCC/C=C/C/C=C/CCCCCCCCNC(=O)NC1=CC=C(C=C1)C

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