Basic information
- CAS
137351-55-4- Standard SMILES
CCCCNC(=O)Nc1ccc(C#N)cc1- InChIKey
ZYOYHCBNTPNMBM-UHFFFAOYSA-N- Molecular formula
- C12H15N3O
- Average molar mass
- 217.27 g/mol
- Monoisotopic mass
- 217.12151211
Names & identifiers
- Preferred name
- N-Butyl-N'-(4-cyanophenyl)urea
- IUPAC
- 1-butyl-3-(4-cyanophenyl)urea
Names & synonyms
SCHEMBL14424467N-Butyl-N'-(4-cyanophenyl)ureaDTXSID301306894N-Butyl-Na(2)-(4-cyanophenyl)ureaAKOS008670784137351-55-4
Database identifiers
- CAS
137351-55-4- PubChem CID
- 28787243
- DTXSID
DTXSID301306894
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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