Basic information
- CAS
63867-27-6- Standard SMILES
CN(C)CC(C)(C)C(O)C#N- InChIKey
SIKJSEBSRRCVND-UHFFFAOYSA-N- Molecular formula
- C8H16N2O
- Average molar mass
- 156.23 g/mol
- Monoisotopic mass
- 156.12626314
Names & identifiers
- Preferred name
- Butyronitrile, 3,3-dimethyl-4-(dimethylamino)-2-hydroxy-
- IUPAC
- 4-(dimethylamino)-2-hydroxy-3,3-dimethylbutanenitrile
- English name
- 3,3-Dimethyl-4-dimethylamino-2-hydroxybutyronitrile
- Molecular formula
- C8H16N2O
- Molecular weight
- 156.23
Names & synonyms
63867-27-6BUTYRONITRILE, 3,3-DIMETHYL-4-(DIMETHYLAMINO)-2-HYDROXY-RefChem:10805064-(dimethylamino)-2-hydroxy-3,3-dimethylbutanenitrileUSAF A-46422,2-Dimethyl-3-dimethylaminopropionaldehyde cyanohydrin3,3-Dimethyl-4-dimethylamino-2-hydroxybutyronitrilePropionaldehyde cyanohydrin, 2,2-dimethyl-3-dimethyl-aminoDTXSID80980513DB-304023USAF A-1642Butanenitrile, 4-(dimethylamino)-2-hydroxy-3,3-dimethyl-
Database identifiers
- CAS
63867-27-6- PubChem CID
- 44862
- DTXSID
DTXSID80980513- Nikkaji
- J67.422B
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 166
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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