CAS 139122-19-3 4-(2-Hydroxyethyl)indolin-2-one (HCID 10943004)

기본 정보

CAS: 139122-19-3
표준 SMILES: O=C1Cc2c(CCO)cccc2N1
InChIKey: QRTHVOUKWCEPKJ-UHFFFAOYSA-N
분자식: C10H11NO2
평균 분자량: 177.2 g/mol
단동위원소 질량: 177.07897859

이름 및 식별자

우선 이름: 4-(2-Hydroxyethyl)indolin-2-one
IUPAC: 4-(2-hydroxyethyl)-1,3-dihydroindol-2-one
영어명: 1,3-Dihydro-4-(2-hydroxyethyl)-2H-indole-2-one
분자식: C10H11NO2
분자량: 177.2

이름 및 동의어

139122-19-34-(2-Hydroxyethyl)indolin-2-one1,3-Dihydro-4-(2-hydroxyethyl)-2H-Indol-2-one6YTE425882DTXSID4012516864-(2-HYDROXYETHYL)-1,3-DIHYDRO-2H-INDOL-2-ONEROPINIROLE HYDROCHLORIDE IMPURITY F [EP IMPURITY]ROPINIROLE HYDROCHLORIDE IMPURITY F (EP IMPURITY)RefChem:512519DTXCID001682479801-080-7925-636-4

이름 더 보기

Ropinirole USP RC A4-(2-HYDROXYETHOXY)INDOLERopinirole Intermediate 5Ropinirole USP impurity A4-(2-YDROXYETHYL)OXYINDOLERopinirol Related Compound A

4-(2-hydroxyethyl)oxyindole1,3-Dihydro-4-(2-hydroxyethyl)-2H-indole-2-one4-(2-hydroxyethyl)oxindole4-(2-hydroxyethyl)-1,3-dihydroindol-2-oneRopinirole EP Impurity F2H-Indol-2-one, 1,3-dihydro-4-(2-hydroxyethyl)-4-(2-Hydroxyethyl)-1,3-dihydro-2H-indolin-2-oneMFCD07782133

데이터베이스 식별자

CAS: 139122-19-3
PubChem CID: 10943004
DTXSID: DTXSID401251686
UNII: 6YTE425882
EC Number: 801-080-7、925-636-4
Nikkaji: J3.514.493E

물성

구조 계산 물성

XLogP: 0.2
극성 표면적: 49.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 205

물리화학적 성질

녹는점: 148 · 148-150°C
끓는 점: 390 · 390.0±42.0 °C(Predicted)
밀도: 1.253 · 1.253±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 14.08 · 14.08±0.20(Predicted)
색상: 페일베이지부터 브라운까지
주요 응용: 의약품(소분자)
InChI: 1S/C10H11NO2/c12-5-4-7-2-1-3-9-8(7)6-10(13)11-9/h1-3,12H,4-6H2,(H,11,13)
InChIKey: QRTHVOUKWCEPKJ-UHFFFAOYSA-N

화학적 성질

Yellow Solid

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.

Danger

H317 (95.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Not Classified