Basic information
- CAS
40755-09-7- Standard SMILES
CCCC(CCC)NC(=O)Nc1ccccc1- InChIKey
HROYHGLRZADUTR-UHFFFAOYSA-N- Molecular formula
- C14H22N2O
- Average molar mass
- 234.34 g/mol
- Monoisotopic mass
- 234.17321333
Names & identifiers
- Preferred name
- Urea, 1-(4-heptyl)-3-phenyl-
- IUPAC
- 1-heptan-4-yl-3-phenylurea
- English name
- 1-(1-Propylbutyl)-3-phenylurea
- Molecular formula
- C14H22N2O
- Molecular weight
- 234.34
Names & synonyms
Urea, 1-(4-heptyl)-3-phenyl-1-(4-Heptyl)-3-phenylureaBRN 27264411-Phenyl-3-(1-propylbutyl)urea40755-09-7DTXSID501937394-12-00-00737 (Beilstein Handbook Reference)RefChem:387475DTXCID40116230N-(Heptan-4-yl)-N'-phenylureaHROYHGLRZADUTR-UHFFFAOYSA-N1-(1-Propylbutyl)-3-phenylurea
Show more names
N-Phenyl-N'-(1-propylbutyl)ureaUrea, N-phenyl-N'-(1-propylbutyl)-
Database identifiers
- CAS
40755-09-7- PubChem CID
- 218528
- DTXSID
DTXSID50193739- Nikkaji
- J48.938G
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Melting point
- 137 · 137-138 °C
- Boiling point
- 328.7 · 328.7±15.0 °C(Predicted)
- Density
- 1.015 · 1.015±0.06 g/cm3(Predicted)
- pka
- 12.36 · 12.36±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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