Basic information
- CAS
56775-99-6- Standard SMILES
CC(C)CC1NC(=O)N(O)C1=O- InChIKey
NSPHKKWAWNSWNU-UHFFFAOYSA-N- Molecular formula
- C7H12N2O3
- Average molar mass
- 172.18 g/mol
- Monoisotopic mass
- 172.08479225
Names & identifiers
- Preferred name
- 3-Hydroxy-5-isobutyl hydantoin
- IUPAC
- 3-hydroxy-5-(2-methylpropyl)imidazolidine-2,4-dione
- English name
- 3-Hydroxy-5-(2-methylpropyl)-2,4-imidazolidinedione
- Molecular formula
- C7H12N2O3
- Molecular weight
- 172.18
Names & synonyms
56775-99-63-Hydroxy-5-isobutyl hydantoin2,4-IMIDAZOLIDINEDIONE, 3-HYDROXY-5-(2-METHYLPROPYL)-3-Hydroxy-5-(2-methylpropyl)-2,4-imidazolidinedioneDTXSID30972226DB-2943252,3-Dihydroxy-5-(2-methylpropyl)-3,5-dihydro-4H-imidazol-4-one3-Hydroxyisobutylhydantoin
Database identifiers
- CAS
56775-99-6- PubChem CID
- 41990
- DTXSID
DTXSID30972226- Nikkaji
- J61.624I
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Density
- 1.259 · 1.259±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 7.49 · 7.490±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…