2-[Hydroxy(diphenyl)methyl]butanenitrile
Basic information
- CAS
22101-20-8- Standard SMILES
CCC(C#N)C(O)(c1ccccc1)c1ccccc1- InChIKey
ZDTPCZLGZKXXGW-UHFFFAOYSA-N- Molecular formula
- C17H17NO
- Average molar mass
- 251.32 g/mol
- Monoisotopic mass
- 251.13101417
Names & identifiers
- Preferred name
- 2-[Hydroxy(diphenyl)methyl]butanenitrile
- IUPAC
- 2-[hydroxy(diphenyl)methyl]butanenitrile
- English name
- 2-(alpha-hydroxybenzhydryl)butyronitrile
- Molecular formula
- C17H17NO
- Molecular weight
- 251.32
Names & synonyms
2-[hydroxy(diphenyl)methyl]butanenitrile22101-20-8EINECS 244-779-7DTXSID309447412-(alpha-Hydroxybenzhydryl)butyronitrile2-[Hydroxydi(phenyl)methyl]butanenitrileNS000498212-(Hydroxydiphenylmethyl)butyronitrile2-Ethyl-3-hydroxy-3,3-diphenylpropi-onitrile2-(Eethyl-3-Hydroxy-3,3-Diphenylpropionitrileα-Ethyl-β-hydroxy-β-phenylbenzenepropanenitrileBenzenepropanenitrile, α-ethyl-β-hydroxy-β-phenyl-
Database identifiers
- CAS
22101-20-8- PubChem CID
- 90730
- DTXSID
DTXSID30944741- EC Number
- 244-779-7
- Nikkaji
- J285.436H
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 299
Physicochemical properties
- Boiling point
- 460.8 · 460.8±40.0 °C(Predicted)
- Density
- 1.107 · 1.107±0.06 g/cm3(Predicted)
- pka
- 12.28 · 12.28±0.29(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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