2-Methyl-1,4-dihydropyrimidin-4-one

HCID 250451CAS 19875-04-8

기본 정보

표준 SMILES: Cc1nccc(=O)[nH]1
InChIKey: QWIDYOLZFAQBOB-UHFFFAOYSA-N
분자식: C5H6N2O
평균 분자량: 110.11 g/mol
단동위원소 질량: 110.04801281

이름 및 식별자

우선 이름: 2-Methyl-1,4-dihydropyrimidin-4-one
IUPAC: 2-methyl-1H-pyrimidin-6-one
영어명: 4(1H)-Pyrimidinone, 2-methyl- (8CI,9CI)
분자식: C5H6N2O
분자량: 110.11

이름 및 동의어

2-methyl-1,4-dihydropyrimidin-4-oneRefChem:474801856-730-22-Methylpyrimidin-4-ol4-Hydroxy-2-methylpyrimidine19875-04-867383-35-12-methylpyrimidin-4(3H)-one2-methyl-1H-pyrimidin-6-one2-Methyl-4(3H)-pyrimidinone4(1H)-Pyrimidinone, 2-methyl-2-methyl-4-pyrimidinol

이름 더 보기

2-Methylpyrimidine-4-ol2-Methylpyrimidin-4(1H)-one2-Methylpyrimidine-4(3H)-one2-Methyl-4-hydroxypyriMidine4(3H)-Pyrimidinone,2-methyl-2-Methyl-4-hydroxy-pyriMidine

4(1H)-Pyrimidinone, 2-methyl- (8CI,9CI)MFCD00234103MFCD058644252-methyl-3,4-dihydropyrimidin-4-one127892-80-24(3HNSC699382-Methylpyrimidin-4-one

데이터베이스 식별자

CAS: 19875-04-8
PubChem CID: 250451
DTXSID: DTXSID10941718
EC Number: 856-730-2
Nikkaji: J141.823H

물성

구조 계산 물성

XLogP: -0.4
극성 표면적: 41.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 169

물리화학적 성질

녹는점: 214 °C · 214 °C
밀도: 1.22 · 1.22±0.1 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 9.43 · 9.43±0.40(Predicted)

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: 2933599590

화학 및 산업

응용 분야 · 1건

용도4-Hydroxy-2-methylpyrimidine is a useful synthetic intermediate. It is an intermediate used to synthesize 2-Methyl-4-pyrimidinyl-boronic Acid (M328125) which is used to synthesize indazole-derived S-adenosyl homocysteine/methylthioadenosine nucleosidase inhibitors with antimicrobial activities.

상·하류 제품 정보

상류 원료

공급사50 곳

上海康恩博医药科技有限公司17510465506 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

上海莉凯化工技术有限公司16628776521 · [email protected]

연결된 노트

불러오는 중…