3-(アミノメチル)-4,6-ジメチルピリジン-2(1H)-オン

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

HCID 7063844

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 771579-27-2
標準SMILES: Cc1cc(C)c(CN)c(=O)[nH]1
InChIKey: PCJPGNCABBDNJU-UHFFFAOYSA-N
分子式: C8H12N2O
平均分子量: 152.19 g/mol
単同位体質量: 152.094963

名称と識別子

優先名称: 3-(Aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one
IUPAC: 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one
現地名: 3-(アミノメチル)-4,6-ジメチルピリジン-2(1H)-オン
英語名: 2(1H)-Pyridinone, 3-(aminomethyl)-4,6-dimethyl- (9CI)
分子式: C8H12N2O
分子量: 152.19

名称と別名

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

名称をさらに表示

3-(アミノメチル)-4,6-ジメチルピリジン-2(1H)-オン3-(アミノメチル)-4,6-ジメチル-1,2-ジヒドロピリジン-2-オン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

データベース識別子

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

物性

構造計算による物性

XLogP: -0.1
極性表面積: 55.1 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 251

物理化学的性質

沸点: 348.1 · 348.1±34.0 °C(Predicted)
比重(密度): 1.054 · 1.054±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C(protect from light)
酸解離定数(Pka): 12.4 · 12.40±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

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.