CAS 90097-45-3 3-(Hydroxymethyl)-1,2-dihydroquinolin-2-one (HCID 2764578)

기본 정보

CAS: 90097-45-3
표준 SMILES: O=c1[nH]c2ccccc2cc1CO
InChIKey: VHJYMYGHHCHEDA-UHFFFAOYSA-N
분자식: C10H9NO2
평균 분자량: 175.18 g/mol
단동위원소 질량: 175.06332853

이름 및 식별자

우선 이름: 3-(Hydroxymethyl)-1,2-dihydroquinolin-2-one
IUPAC: 3-(hydroxymethyl)-1H-quinolin-2-one
현지명: 3-하이드록시메틸-1H-퀴놀린-2-ONE
영어명: 3-HYDROXYMETHYL-1H-QUINOLIN-2-ONE
분자식: C10H9NO2
분자량: 175.18

이름 및 동의어

3-(hydroxymethyl)-1,2-dihydroquinolin-2-oneRefChem:495262849-998-790097-45-33-(Hydroxymethyl)quinolin-2(1H)-one3-(Hydroxymethyl)-2(1H)-quinolinone3-(hydroxymethyl)-1H-quinolin-2-oneMFCD062009953-hydroxymethylcarbostyrilhydroxymethyl quinoloneSCHEMBL6402311SCHEMBL28707205

이름 더 보기

3-하이드록시메틸-1H-퀴놀린-2-ONE3-HYDROXYMETHYL-1H-QUINOLIN-2-ONE2(1H)-Quinolinone, 3-(hydroxymethyl)-3-(Hydroxymethyl)quinolin-2(1H)-one 95%1,2-Dihydro-3-(hydroxymethyl)-2-oxoquinoline

DTXSID20377509VHJYMYGHHCHEDA-UHFFFAOYSA-NHMS1633J02QDA09745SBB0890193-(hydroxymethyl)hydroquinolin-2-oneAKOS004121696AKOS005072904

데이터베이스 식별자

CAS: 90097-45-3
PubChem CID: 2764578
DTXSID: DTXSID20377509
EC Number: 849-998-7
Nikkaji: J1.728.456H

물성

구조 계산 물성

XLogP: 1
극성 표면적: 49.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 247

물리화학적 성질

녹는점: 200 °C · 200°C
저장 조건: 2 · 2-8°C(protect from light)

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.