alpha-Methyl-3-pyridinemethanol

HCID 101192

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Basic information

CAS: 10593-35-8
Standard SMILES: CC(O)c1cccnc1
InChIKey: QMDUEBURHKSKDG-UHFFFAOYSA-N
Molecular formula: C7H9NO
Average molar mass: 123.15 g/mol
Monoisotopic mass: 123.06841391

Overview

RN given refers to cpd without isomeric designation

Names & identifiers

Preferred name: alpha-Methyl-3-pyridinemethanol
IUPAC: 1-pyridin-3-ylethanol
English name: 3-(1-Hydroxyethyl)pyridine
Molecular formula: C7H9NO
Molecular weight: 123.15

Names & synonyms

4754-27-21-(3-Pyridyl)ethanolalpha-Methyl-3-pyridinemethanolH6E9JKE977NSC-526489RefChem:915550225-280-33-(1-Hydroxyethyl)pyridine1-(Pyridin-3-yl)ethanol1-pyridin-3-ylethanol1-Pyridin-3-yl-ethanol1-(pyridin-3-yl)ethan-1-ol

Show more names

3-METHYLPYRIDINECARBINOLa-Methyl-3-PyridineMethanolα-Methyl-3-pyridinemethanol1-Pyridin-3-YL-Ethanol,>98%3-PyridineMethanol, a-Methyl-

Methyl-3-pyridylcarbinolMFCD016916863-Pyridinemethanol, alpha-methyl-(1R)-1-(3-Pyridyl)ethanol(+/-)-1-(3-Pyridyl)ethanol10593-35-83-Pyridylmethylcarbinolalpha-Methylpyridine-3-methanol

Database identifiers

CAS: 10593-35-8、4754-27-2
PubChem CID: 101192
DTXSID: DTXSID20909829
UNII: H6E9JKE977
EC Number: 225-280-3
Nikkaji: J262.434F

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 33.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 85

Physicochemical properties

Boiling point: 123 · 123-125 °C(Press: 5 Torr)
Density: 1.082 · 1.082±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: 13.75 · 13.75±0.20(Predicted)
form: liquid
color: light brown
optical activity: -0.5 ° · -0.50°(C=1.00g/100mL, DCM, 20°C, 589nm)
InChI: InChI=1S/C7H9NO/c1-6(9)7-3-2-4-8-5-7/h2-6,9H,1H3
InChIKey: QMDUEBURHKSKDG-UHFFFAOYSA-N
SMILES: C1(C(O)C)=CN=CC=C1
FDA UNII: 6 E9JKE977 · H6E9JKE977
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2933399990
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

UsesThe functional group of 3-(1-Hydroxyethyl)pyridine is a hydroxyl group. It is a crucial compound that could be used as a pharmaceutical intermediate in pharmaceutical synthesis and scientific research.