alpha-(1,1-Dimethylethyl)-3-pyridinemethanol
Basic information
- CAS
124009-64-9- Standard SMILES
CC(C)(C)C(O)c1cccnc1- InChIKey
HTHPRKBXKKWGMM-UHFFFAOYSA-N- Molecular formula
- C10H15NO
- Average molar mass
- 165.23 g/mol
- Monoisotopic mass
- 165.1153641
Names & identifiers
- Preferred name
- alpha-(1,1-Dimethylethyl)-3-pyridinemethanol
- IUPAC
- 2,2-dimethyl-1-pyridin-3-ylpropan-1-ol
- English name
- 2,2-dimethyl-1-(pyridin-3-yl)propan-1-ol
- Molecular formula
- C10H15NO
- Molecular weight
- 165.23
Names & synonyms
124009-64-9RefChem:318184alpha-(1,1-Dimethylethyl)-3-pyridinemethanol2,2-dimethyl-1-(pyridin-3-yl)propan-1-ol3-(2,2-dimethyl-1-hydroxypropyl)pyridineNSC280756SCHEMBL2425719SCHEMBL29725500HTHPRKBXKKWGMM-UHFFFAOYSA-NDTXSID201276799AKOS010147769NSC-280756
Show more names
3-Pyridinemethanol, α-(1,1-dimethylethyl)-
DA-13874|A-(1,1-Dimethylethyl)-3-pyridinemethanolI+/--(1,1-Dimethylethyl)-3-pyridinemethanol
Database identifiers
- CAS
124009-64-9- PubChem CID
- 322666
- DTXSID
DTXSID201276799- Nikkaji
- J1.108.535K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Melting point
- 81 · 81-83 °C(Solv: cyclohexane (110-82-7))
- Boiling point
- 271.5 · 271.5±15.0 °C(Predicted)
- Density
- 1.011 · 1.011±0.06 g/cm3(Predicted)
- pka
- 13.75 · 13.75±0.20(Predicted)
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Related reactions
1 records
Compound notes
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