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

HCID 7063844

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 771579-27-2
표준 SMILES: Cc1cc(C)c(CN)c(=O)[nH]1
InChIKey: PCJPGNCABBDNJU-UHFFFAOYSA-N
분자식: C8H12N2O
평균 분자량: 152.19 g/mol
단동위원소 질량: 152.094963

이름 및 식별자

우선 이름: 3-(Aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one
IUPAC: 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one
영어명: 2(1H)-Pyridinone, 3-(aminomethyl)-4,6-dimethyl- (9CI)
분자식: C8H12N2O
분자량: 152.19

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: -0.1
극성 표면적: 55.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 251

물리화학적 성질

끓는 점: 348.1 · 348.1±34.0 °C(Predicted)
밀도: 1.054 · 1.054±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
산도 계수 (pKa): 12.4 · 12.40±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

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.