2-Hydroxypentanenitrile
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Basic information
- CAS
5699-72-9- Standard SMILES
CCCC(O)C#N- InChIKey
AANFRDGJHYLLAE-UHFFFAOYSA-N- Molecular formula
- C5H9NO
- Average molar mass
- 99.13 g/mol
- Monoisotopic mass
- 99.06841391
Names & identifiers
- Preferred name
- 2-Hydroxypentanenitrile
- IUPAC
- 2-hydroxypentanenitrile
- English name
- 2-hydroxyvaleronitrile
- Molecular formula
- C5H9NO
- Molecular weight
- 99.13
Names & synonyms
2-hydroxypentanenitrile5699-72-9beta-HydroxyvaleronitrileDTXSID50972480RefChem:909945DTXCID201399951227-182-62-HydroxyvaleronitrileMFCD09838877Pentanenitrile, 2-hydroxy-Pentanenitrile,2-hydroxy-EINECS 227-182-6
Show more names
1-CyanobutanolButanal cyanhydrinButyraldehyde cyanohydrin2-Hydroxypentane nitrile, 98 %
alpha-hydroxyvaleronitrileSCHEMBL366932SCHEMBL366933SCHEMBL6591571SCHEMBL6591580AANFRDGJHYLLAE-UHFFFAOYSA-NALBB-027950AKOS009469933
Database identifiers
- CAS
5699-72-9- PubChem CID
- 94313
- DTXSID
DTXSID50972480- EC Number
- 227-182-6
- Nikkaji
- J134.024G
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 81.3
Physicochemical properties
- Boiling point
- 73 · 73-74 °C(Press: 3 Torr)
- Density
- 0.9397 g/cm3 · 0.9397 g/cm3
- pka
- 11.38 · 11.38±0.20(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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