3-(Aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one

HCID 7063844CAS 771579-27-2

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Grundinformationen

Standard-SMILES: Cc1cc(C)c(CN)c(=O)[nH]1
InChIKey: PCJPGNCABBDNJU-UHFFFAOYSA-N
Summenformel: C8H12N2O
Durchschnittliche Molmasse: 152,19 g/mol
Monoisotopische Masse: 152,094963

Namen und Bezeichner

Bevorzugter Name: 3-(Aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one
IUPAC: 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one
Englischer Name: 2(1H)-Pyridinone, 3-(aminomethyl)-4,6-dimethyl- (9CI)
Summenformel: C8H12N2O
Molmasse: 152.19

Namen und Synonyme

3-(aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-oneRefChem:494063846-950-7771579-27-23-(Aminomethyl)-4,6-dimethylpyridin-2(1H)-one3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-oneMFCD062132602(1H)-Pyridinone, 3-(aminomethyl)-4,6-dimethyl- (9CI)3-(aminomethyl)-4,6-dimethyl-2(1H)-Pyridinone2(1H)-Pyridinone,3-(aminomethyl)-4,6-dimethyl-SCHEMBL1695218SCHEMBL12499744

Weitere Namen anzeigen

N-BUTYL-2-CHLOROISONICOTINAMIDE3-(aminomethyl)-4,6-dimethylpyridine-2(1H)-one3-(AMinoMethyl)-4,6-diMethyl-1,2-dihydropyridine-2-one3-(Aminomethyl)-4,6-Dimethylpyridin-2(1H)-One(WX603161)(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylazanium chloride

3-(aminomethyl)-4,6-dimethylpyDTXSID90427681PCJPGNCABBDNJU-UHFFFAOYSA-NHMS1741L20STL195461AKOS001137672AKOS009028906PB20152

Datenbank-Bezeichner

CAS: 771579-27-2
PubChem CID: 7063844
DTXSID: DTXSID90427681
EC Number: 846-950-7
Nikkaji: J3.545.548E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,1
Polarare Oberfläche (TPSA): 55,1 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 251

Physikochemische Eigenschaften

Siedepunkt: 348.1 · 348.1±34.0 °C(Predicted)
Dichte: 1.054 · 1.054±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 12.4 · 12.40±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

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, 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.