3-(아미노메틸)-4,6-디메틸-1,2-디히드로피리딘-2-온히드로클로라이드

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

HCID 43810451

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1173081-96-3
표준 SMILES: Cc1cc(C)c(CN)c(=O)[nH]1.Cl
InChIKey: ZMDPNGUJHPRAMG-UHFFFAOYSA-N
분자식: C8H13ClN2O
평균 분자량: 188.65 g/mol
단동위원소 질량: 188.07164072

이름 및 식별자

우선 이름: 3-(Aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one hydrochloride
IUPAC: 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;hydrochloride
현지명: 3-(아미노메틸)-4,6-디메틸-1,2-디히드로피리딘-2-온히드로클로라이드
영어명: 3-(aMinoMethyl)-4,6-diMethyl-1,2-dihydropyridin-2-one hydrochloride
분자식: C8H13ClN2O
분자량: 188.65462

이름 및 동의어

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

이름 더 보기

3-(아미노메틸)-4,6-디메틸-1,2-디히드로피리딘-2-온히드로클로라이드3-(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-, hydrochloride3-(Aminomethyl)-4,6-dimethyl-2(1H)-pyridinone hydrochloride (1:1)

ZMDPNGUJHPRAMG-UHFFFAOYSA-N3-aminomethyl-4,6-dimethyl-pyridin-2-ol hydrochlorideSCHEMBL1694763DTXSID00656384YWB08196(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methanaminium chlorideAKOS016008813DS-4627

데이터베이스 식별자

CAS: 1173081-96-3
PubChem CID: 43810451
DTXSID: DTXSID00656384
EC Number: 822-586-4

물성

구조 계산 물성

극성 표면적: 55.1 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 251

물리화학적 성질

녹는점: 312 · 312-315℃
저장 조건: 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

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

HS 번호: 2933399990
risk_code: 36
safety_code: 26

화학 및 산업

응용 분야 · 2건

개요3-(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.

용도3-(aMinoMethyl)-4,6-diMethyl-1,2-dihydropyridin-2-one hydrochloride belongs to heterocyclic derivatives and can be used as pharmaceutical intermediates.