Grundinformationen
- Standard-SMILES
Cc1cccnc1CO- InChIKey
ACDAPUOXXWLLSC-UHFFFAOYSA-N- Summenformel
- C7H9NO
- Durchschnittliche Molmasse
- 123,15 g/mol
- Monoisotopische Masse
- 123,06841391
Namen und Bezeichner
- Bevorzugter Name
- (3-Methylpyridin-2-yl)methanol
- IUPAC
- (3-methyl-2-pyridinyl)methanol
- Englischer Name
- 2-Hydroxymethyl-3-methylpyridine
- Summenformel
- C7H9NO
- Molmasse
- 123.15
Namen und Synonyme
(3-methylpyridin-2-yl)methanolRefChem:400456801-611-22-Hydroxymethyl-3-methylpyridine63071-09-0MFCD026842062-PYRIDINEMETHANOL, 3-METHYL-Lansoprazole Impurity L(3-methyl-pyridin-2-yl)methanol2-(hydroxymethyl)3-methylpyridine(3-methyl-pyridin-2-yl)-methanol2-(hydroxymethyl)-3-methylpyridine
Weitere Namen anzeigen
Eprazole Impurity 63.Lansoprazole Impurity 45(3-METHYLPYRIDINE-2-YL)METHANOL2-HYDROXYMETHYL-3-METHYLPYRIDINE ISO 9001:2015 REACH
EN300-1296233-Methyl-2-pyridinemethanol2-(Hydroxymethyl)-3-methylpyridine; 3-Methylpyridine-2-methanol; 3-Methyl-2-pyridinemethanol3-METHYLPYRIDINE-2-METHANOLSCHEMBL243610SCHEMBL243739(3-methyl-2-pyridyl)methanolSCHEMBL7128233
Datenbank-Bezeichner
- CAS
63071-09-0- PubChem CID
- 1514369
- DTXSID
DTXSID10363870- ChEMBL
CHEMBL3303628- EC Number
- 801-611-2
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,4
- Polarare Oberfläche (TPSA)
- 33,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 85
Physikochemische Eigenschaften
- Schmelzpunkt
- 102 °C · 102 °C
- Siedepunkt
- 53 · 53-56 °C(Press: 0.08 Torr)
- Dichte
- 1.092 · 1.092±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform (Sparingly), Ethyl Acetate (Slightly, Sonicated)
- Aggregatzustand
- Solid
- pka
- 13.51 · 13.51±0.10(Predicted)
- Farbe
- Brown to Dark Brown
- InChI
- InChI=1S/C7H9NO/c1-6-3-2-4-8-7(6)5-9/h2-4,9H,5H2,1H3
- InChIKey
- ACDAPUOXXWLLSC-UHFFFAOYSA-N
- SMILES
- C1(CO)=NC=CC=C1C
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302
Chemie und Industrie
Anwendungen
Verwenden(3-Methylpyridin-2-yl)methanol can be used to selectively suppress MLL rearranged leukemia cells by disrupting MLL-1-WDR5 protein-protein interaction.
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