1-[(9Z,12E)-octadeca-9,12-dienyl]-3-(3-phenylphenyl)urea

Base Information

• Chemical Name: 1-[(9Z,12E)-octadeca-9,12-dienyl]-3-(3-phenylphenyl)urea
• CAS No.: 6964-85-8
• Molecular Formula: C31H44N2O
• Molecular Weight: 460.6939
• NSC Number: 67040
• DSSTox Substance ID: DTXSID50418171
• Wikidata: Q82228531

Synonyms:NSC67040;6964-85-8;DTXSID50418171;NSC-67040

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

Chemical Property:

• Vapor Pressure: 6.75E-14mmHg at 25°C
• Boiling Point: 590°C at 760 mmHg
• Flash Point: 127.6°C
• Density: 0.991g/cm³
• XLogP3: 9.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 17
• Exact Mass: 460.345364031
• Heavy Atom Count: 34
• Complexity: 550

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC=CCC=CCCCCCCCCNC(=O)NC1=CC=CC(=C1)C2=CC=CC=C2
• Isomeric SMILES: CCCCC/C=C/C/C=C\CCCCCCCCNC(=O)NC1=CC=CC(=C1)C2=CC=CC=C2

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