α-Methylpyridin-3-methanol

alpha-Methyl-3-pyridinemethanol

HCID 101192CAS 10593-35-8

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Grundinformationen

Standard-SMILES: CC(O)c1cccnc1
InChIKey: QMDUEBURHKSKDG-UHFFFAOYSA-N
Summenformel: C7H9NO
Durchschnittliche Molmasse: 123,15 g/mol
Monoisotopische Masse: 123,06841391

Überblick

RN given refers to cpd without isomeric designation

Namen und Bezeichner

Bevorzugter Name: alpha-Methyl-3-pyridinemethanol
IUPAC: 1-pyridin-3-ylethanol
Lokaler Name: α-Methylpyridin-3-methanol
Englischer Name: 3-(1-Hydroxyethyl)pyridine
Summenformel: C7H9NO
Molmasse: 123.15

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 33,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 85

Physikochemische Eigenschaften

Siedepunkt: 123 · 123-125 °C(Press: 5 Torr)
Dichte: 1.082 · 1.082±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: 13.75 · 13.75±0.20(Predicted)
Aggregatzustand: liquid
Farbe: light brown
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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

hs_code: 2933399990
hazard_code: Xi

Chemie und Industrie

Anwendungen

VerwendenThe 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.