CAS 1173081-96-3 3-(Aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one hydrochloride (HCID 43810451)

基本情報

CAS: 1173081-96-3
標準SMILES: Cc1cc(C)c(CN)c(=O)[nH]1.Cl
InChIKey: ZMDPNGUJHPRAMG-UHFFFAOYSA-N
分子式: C8H13ClN2O
平均分子量: 188.65 g/mol
単同位体質量: 188.07164072

名称と識別子

優先名称: 3-(Aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one hydrochloride
IUPAC: 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;hydrochloride
現地名: 3-(アミノメチル)-4,6-ジメチルピリジン-2(1H)-オン塩酸塩
英語名: 3-(aMinoMethyl)-4,6-diMethyl-1,2-dihydropyridin-2-one hydrochloride
分子式: C8H13ClN2O
分子量: 188.65462

名称と別名

3-(AMINOMETHYL)-4,6-DIMETHYL-1,2-DIHYDROPYRIDIN-2-ONE HYDROCHLORIDERefChem:494064822-586-41173081-96-33-(aminomethyl)-4,6-dimethylpyridin-2(1H)-one hydrochlorideMFCD090533373-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one hydrochloride3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;hydrochloride3-(AMINOMETHYL)-4,6-DIMETHYL-1H-PYRIDIN-2-ONE, HCL2(1H)-Pyridinone, 3-(aminomethyl)-4,6-dimethyl-, hydrochloride (1:1)3-(AMINOMETHYL)-4,6-DIMETHYLPYRIDIN-2(1H)-ONE HCL3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one HCl

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)-オン塩酸塩3-(アミノメチル)-4,6-ジメチルピリジン-2(1H)-オン・塩酸塩3-(アミノメチル)-4,6-ジメチルピリジン-2(1H)-オン一塩酸塩3-(Aminomethyl)-4,6-dimethyl-2(1H)-pyridinone hydrochlorideCN471Tazemetostal intermediate3-(aminomethyl)-4,6-dimethylpyridin-2-ol hydrochloride3-(Aminomethyl)-4,6-dimethylpyridin-2(1H)-one Hydrochlorid3-(Aminomethyl)-4,6-dimethylpyridin-2(1H)-one dihydrochloride2(1H)-Pyridinone, 3-(aMinoMethyl)-4,6-diMethyl-, hydrochloride

物性

構造計算による物性

極性表面積: 55.1 Å²
水素結合供与体数: 3
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 251

物理化学的性質

融点: 312 · 312-315℃
貯蔵温度: Inert atmosphere,Room Temperature
InChI: InChI=1S/C8H12N2O.ClH/c1-5-3-6(2)10-8(11)7(5)4-9;/h3H,4,9H2,1-2H3,(H,10,11);1H
InChIKey: ZMDPNGUJHPRAMG-UHFFFAOYSA-N
SMILES: C1(=O)NC(C)=CC(C)=C1CN.[H]Cl

安全と法規制

GHS分類

GHS Classification · 4 件

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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

hs_code: 2933399990
risk_code: 36
safety_code: 26

化学と産業

応用分野 · 2 件

説明3-(Aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one hydrochloride is a heterocyclic derivative, mainly used as a pharmaceutical intermediate for the synthesis of drugs. In addition, it can also be used as a raw material for buffers, catalysts or reducing agents.

使用3-(aMinoMethyl)-4,6-diMethyl-1,2-dihydropyridin-2-one hydrochloride belongs to heterocyclic derivatives and can be used as pharmaceutical intermediates.