Basic information
- CAS
6774-18-1- Standard SMILES
NC(=O)NC(=O)NCCCCc1ccccc1- InChIKey
NGDIPOJPYNGPNB-UHFFFAOYSA-N- Molecular formula
- C12H17N3O2
- Average molar mass
- 235.28 g/mol
- Monoisotopic mass
- 235.13207679
Names & identifiers
- Preferred name
- Biuret, 1-(4-phenylbutyl)-
- IUPAC
- 1-carbamoyl-3-(4-phenylbutyl)urea
- English name
- 1-(4-Phenylbutyl)biuret
- Molecular formula
- C12H17N3O2
- Molecular weight
- 235.28
Names & synonyms
1-(4-Phenylbutyl)biuretBIURET, 1-(4-PHENYLBUTYL)-BRN 26564426774-18-1DTXSID10218018RefChem:329978DTXCID30140509N-(4-Phenylbutyl)-2-imidodicarbonic diamideImidodicarbonic diamide, N-(4-phenylbutyl)-
Database identifiers
- CAS
6774-18-1- PubChem CID
- 23222
- DTXSID
DTXSID10218018- Nikkaji
- J42.060C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 250
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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