4-Hydroxy-1-methylpiperidine-4-carbonitrile
Basic information
- CAS
20734-30-9- Standard SMILES
CN1CCC(O)(C#N)CC1- InChIKey
JXUFHVUPZXLNGM-UHFFFAOYSA-N- Molecular formula
- C7H12N2O
- Average molar mass
- 140.18 g/mol
- Monoisotopic mass
- 140.09496301
Names & identifiers
- Preferred name
- 4-Hydroxy-1-methylpiperidine-4-carbonitrile
- IUPAC
- 4-hydroxy-1-methylpiperidine-4-carbonitrile
- English name
- 1-Methyl-4-hydroxy-piperidine-4-carbonitrile
- Molecular formula
- C7H12N2O
- Molecular weight
- 140.18
Names & synonyms
4-hydroxy-1-methylpiperidine-4-carbonitrile20734-30-9MFCD004808934-Piperidinecarbonitrile, 4-hydroxy-1-methyl-NSC1396484-hydroxy-4-cyano-1-methylpiperidine4-hydroxy-1-methyl-piperidine-4-carbonitrileSCHEMBL3032527DTXSID20300877JXUFHVUPZXLNGM-UHFFFAOYSA-NALBB-018068AKOS009470789
Show more names
4-hydroxy-1-methyl-isonipecotonitrile4-hydroxy-1-methyl-4-piperidinecarbonitrile1-Methyl-4-hydroxy-piperidine-4-carbonitrile
NSC-139648LS-05958DB-066308CS-0205269H32490
Database identifiers
- CAS
20734-30-9- PubChem CID
- 284053
- DTXSID
DTXSID20300877
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Melting point
- 140 · 140-143 °C
- Boiling point
- 298.6 · 298.6±40.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 11.01 · 11.01±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Related reactions
5 records
Compound notes
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