1-Octadecyl-3-phenylurea
Basic information
- CAS
4128-43-2- Standard SMILES
CCCCCCCCCCCCCCCCCCNC(=O)Nc1ccccc1- InChIKey
GRYVQVCQOKBITE-UHFFFAOYSA-N- Molecular formula
- C25H44N2O
- Average molar mass
- 388.6 g/mol
- Monoisotopic mass
- 388.34536403
Names & identifiers
- Preferred name
- 1-Octadecyl-3-phenylurea
- IUPAC
- 1-octadecyl-3-phenylurea
- English name
- 1-Octadecyl-3-phenylurea
- Molecular formula
- C25H44N2O
- Molecular weight
- 388.63
Names & synonyms
4128-43-21-octadecyl-3-phenylureaNSC205454N-Octadecyl-N'-phenylureaSCHEMBL422504DTXSID00308614GRYVQVCQOKBITE-UHFFFAOYSA-NAKOS024431239NSC-205454
Database identifiers
- CAS
4128-43-2- PubChem CID
- 307349
- DTXSID
DTXSID00308614
Properties
Computed structural properties
- XLogP
- 10.1
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 18
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Boiling point
- 488.3 · 488.3±18.0 °C(Predicted)
- Density
- 0.943 · 0.943±0.06 g/cm3(Predicted)
- pka
- 12.68 · 12.68±0.46(Predicted)
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Related reactions
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Compound notes
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