4-Hydroxy-2-(2-hydroxyethyl)-2-phenylbutyronitrile
Basic information
- CAS
10469-27-9- Standard SMILES
N#CC(CCO)(CCO)c1ccccc1- InChIKey
UOZFONUAKNTHHC-UHFFFAOYSA-N- Molecular formula
- C12H15NO2
- Average molar mass
- 205.25 g/mol
- Monoisotopic mass
- 205.11027872
Names & identifiers
- Preferred name
- 4-Hydroxy-2-(2-hydroxyethyl)-2-phenylbutyronitrile
- IUPAC
- 4-hydroxy-2-(2-hydroxyethyl)-2-phenylbutanenitrile
- English name
- 4-hydroxy-2-(2-hydroxyethyl)-2-phenylbutyronitrile
- Molecular formula
- C12H15NO2
- Molecular weight
- 205.253
Names & synonyms
10469-27-94-Hydroxy-2-(2-hydroxyethyl)-2-phenylbutyronitrileEINECS 233-958-54UDK632LSJNSC-211412DTXSID60146650NSC 211412.ALPHA.,.ALPHA.-BIS(2-HYDROXYETHYL)BENZENEACETONITRILEBENZENEACETONITRILE, .ALPHA.,.ALPHA.-BIS(2-HYDROXYETHYL)-RefChem:99144alpha,alpha-Bis(2-hydroxyethyl)benzeneacetonitrileDTXCID8069141
Show more names
α,α-Bis(2-hydroxyethyl)benzeneacetonitrileBenzeneacetonitrile,a,a-bis(2-hydroxyethyl)-Benzeneacetonitrile, α,α-bis(2-hydroxyethyl)-2-Phenyl-2-(2-hydroxyethyl)-4-hydroxybutanenitrile
BENZENEACETONITRILE, ALPHA,ALPHA-BIS(2-HYDROXYETHYL)-233-958-54-hydroxy-2-(2-hydroxyethyl)-2-phenylbutanenitrileNSC211412UNII-4UDK632LSJSCHEMBL16136803UOZFONUAKNTHHC-UHFFFAOYSA-NNS00023311
Database identifiers
- CAS
10469-27-9- PubChem CID
- 82647
- DTXSID
DTXSID60146650- UNII
- 4UDK632LSJ
- EC Number
- 233-958-5
- Nikkaji
- J212.410F
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Melting point
- 96 · 96-98 °C
- Boiling point
- 190 · 190-192 °C(Press: 0.2 Torr)
- Density
- 1.156 · 1.156±0.06 g/cm3(Predicted)
- pka
- 14.12 · 14.12±0.10(Predicted)
- FDA UNII
- 4 UDK632LSJ · 4UDK632LSJ
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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