Basic information
- CAS
14068-64-5- Standard SMILES
CC(C)C1NC(=O)NC(O)C1(C)C- InChIKey
ZRAXXNFGAHLING-UHFFFAOYSA-N- Molecular formula
- C9H18N2O2
- Average molar mass
- 186.25 g/mol
- Monoisotopic mass
- 186.13682782
Names & identifiers
- Preferred name
- Tetrahydro-4-hydroxy-6-isopropyl-5,5-dimethyl-1H-pyrimidin-2-one
- IUPAC
- 4-hydroxy-5,5-dimethyl-6-propan-2-yl-1,3-diazinan-2-one
- English name
- tetrahydro-4-hydroxy-6-isopropyl-5,5-dimethyl-1H-pyrimidin-2-one
- Molecular formula
- C9H18N2O2
- Molecular weight
- 186.25
Names & synonyms
14068-64-5Tetrahydro-4-hydroxy-6-isopropyl-5,5-dimethyl-1H-pyrimidin-2-oneEINECS 237-923-54-hydroxy-5,5-dimethyl-6-propan-2-yl-1,3-diazinan-2-oneZRAXXNFGAHLING-UHFFFAOYSA-NSCHEMBL2887796SCHEMBL11380963DTXSID90930903NS000522324-hydroxy-6-isopropyl-5,5-dimethylhexahydropyrimidin-2-one5,5-Dimethyl-6-(propan-2-yl)-3,4,5,6-tetrahydropyrimidine-2,4-diol2(1H)-Pyrimidinone, tetrahydro-4-hydroxy-5,5-dimethyl-6-(1-methylethyl)-
Show more names
3,4,5,6-Tetrahydro-4-hydroxy-5,5-dimethyl-6-(1-methylethyl)pyrimidin-2(1H)-one
Database identifiers
- CAS
14068-64-5- PubChem CID
- 85676
- DTXSID
DTXSID90930903- EC Number
- 237-923-5
- Nikkaji
- J216.855C
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Melting point
- 220 · 220-222 °C
- Boiling point
- 370.3 · 370.3±35.0 °C(Predicted)
- Density
- 1.02 · 1.020±0.06 g/cm3(Predicted)
- pka
- 13.49 · 13.49±0.70(Predicted)
Chemistry & industry
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…