3-Methoxy-2-methyl-1H-pyridin-4-one

HCID 323424

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 53603-11-5
표준 SMILES: COc1c(C)[nH]ccc1=O
InChIKey: GNWSQENQZGWCSW-UHFFFAOYSA-N
분자식: C7H9NO2
평균 분자량: 139.15 g/mol
단동위원소 질량: 139.06332853

이름 및 식별자

우선 이름: 3-Methoxy-2-methyl-1H-pyridin-4-one
IUPAC: 3-methoxy-2-methyl-1H-pyridin-4-one
영어명: 3-Methoxy-2-methyl-1H-pyridin-4-one
분자식: C7H9NO2
분자량: 139.15

이름 및 동의어

3-Methoxy-2-methyl-1H-pyridin-4-oneRefChem:503067616-282-976015-11-73-methoxy-2-methylpyridin-4(1H)-one53603-11-53-Methoxy-2-methylpyridin-4-ol3-methoxy-2-methyl-pyridin-4-ol3-methoxy-2-methyl-1,4-dihydropyridin-4-oneMFCD030939943-Methoxy-2-methyl-4-pyridinol4(1H)-Pyridinone, 3-methoxy-2-methyl-

이름 더 보기

Pantoprazole Impurity 413-methoxy-2-methyl-4-pyridone3-Methoxy-2-methylpyridin-4(1H)2-Methyl-3-methoxypyridine-4-one2-methyl-3-methoxy-4(1H)-pyridinone3-Methoxy-2-methyl-4(1H)-pyridinone3-methoxy-2-methyl-1H-pyridine-4-one

4-Pyridinol, 3-methoxy-2-methyl-3-Methoxy-2-methyl-4-(1H)-pyridoneNSC2834713-Methoxy-2-methyl-4-pyridinol #AKOS005622485SY0974263-Methoxy-2-methyl-1H-pyridin-4-one, 97%3-Methoxy-2-methyl-4(1H)-pyridone; NSC 283471

데이터베이스 식별자

CAS: 53603-11-5、76015-11-7
PubChem CID: 323424
DTXSID: DTXSID00968378
EC Number: 616-282-9
Nikkaji: J109.270G

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 38.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 216

물리화학적 성질

녹는점: 156 · 156-160 °C (lit.)
끓는 점: 252.7 · 252.7±40.0 °C(Predicted)
밀도: 1.12 · 1.12±0.1 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 11.07 · 11.07±0.69(Predicted)
색상: 베이지색
InChI: 1S/C7H9NO2/c1-5-7(10-2)6(9)3-4-8-5/h3-4H,1-2H3,(H,8,9)
InChIKey: GNWSQENQZGWCSW-UHFFFAOYSA-N
SMILES: COC1=C(C)NC=CC1=O

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
HS 번호: 2933399990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도3-Methoxy-2-methylpyridin-4(1H)-one has been used as a reactant for the synthesis of 4-pyridone nucleoside derivatives as potential antitumor agents.

상·하류 제품 정보

상류 원료

3-메톡시-2-메틸-피란-4-온 말톨

하류 제품

3,4-디메톡시-2-메틸피리딘 3,4-Dimethoxy-2-methylpyridine N-oxide 4-Chloro-3-methoxy-2-methylpyridine N-oxide 5-브로모-3-메톡시-2-메틸피리딘-4-올

공급사12 곳

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

Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]

苏州施亚生物科技有限公司17715136450 · [email protected]

苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]

杭州云易国科生物科技有限公司18457506494 · [email protected]

화합물 노트

불러오는 중…