Basic information
- CAS
18728-61-5- Standard SMILES
CC(O)c1ccccn1- InChIKey
PPHIIIRFJKDTLG-UHFFFAOYSA-N- Molecular formula
- C7H9NO
- Average molar mass
- 123.15 g/mol
- Monoisotopic mass
- 123.06841391
Names & identifiers
- Preferred name
- alpha-Methyl-2-pyridinemethanol
- IUPAC
- 1-pyridin-2-ylethanol
- English name
- 1-Pyridin-2-yl-ethanol
- Molecular formula
- C7H9NO
- Molecular weight
- 123.16
Names & synonyms
18728-61-5alpha-Methylpyridine-2-methanolalpha-methyl-2-pyridinemethanolRefChem:555830242-539-61-(Pyridin-2-yl)ethanol2-(1-Hydroxyethyl)pyridine1-pyridin-2-yl-ethanol1-pyridin-2-ylethanolMFCD062454191-(pyridin-2-yl)ethan-1-ol1-(2-pyridyl)ethanol
Show more names
2-PyridylmethylcarbinolMethyl-2-pyridinemethanolMethyl(2-pyridyl)carbinola-Methyl-2-PyridineMethanol2-(1-HYDROXYETHYL) PYRIDINEα-methylpyridine-2-methanol
(R)-1-(2-Pyridyl)ethanol1-(2-pyridinyl)ethanol(S)-1-(2-Pyridyl)ethanolpyridylethanol(2-pyridyl)ethanolEINECS 242-539-61-(2-pyridyl)-ethanolSCHEMBL177799
Database identifiers
- CAS
18728-61-5- PubChem CID
- 86784
- DTXSID
DTXSID80940197- EC Number
- 242-539-6
- Nikkaji
- J222.286H
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 85
Physicochemical properties
- Melting point
- 53 · 53-54 °C
- Boiling point
- 211 ℃ · 211℃
- Density
- 1.082 · 1.082
- Flash point
- 81 ℃ · 81℃
- storage temp.
- Inert atmosphere,Room Temperature
- form
- liquid
- pka
- 13.55 · 13.55±0.20(Predicted)
- color
- Colourless to light yellow
- InChI
- InChI=1S/C7H9NO/c1-6(9)7-4-2-3-5-8-7/h2-6,9H,1H3
- InChIKey
- PPHIIIRFJKDTLG-UHFFFAOYSA-N
- SMILES
- C(C1N=CC=CC=1)(O)C
- LogP
- -0.11 · -0.110 (est)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- Hazard Codes
- T
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- T
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
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Related reactions
43 records
Compound notes
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