1-(4-Hydroxycyclohexyl)pyrrolidin-2-one

HCID 59299306CAS 895581-20-1

기본 정보

표준 SMILES: O=C1CCCN1C1CCC(O)CC1
InChIKey: JQQONDVCJKOBDE-UHFFFAOYSA-N
분자식: C10H17NO2
평균 분자량: 183.25 g/mol

이름 및 식별자

우선 이름: 1-(4-Hydroxycyclohexyl)pyrrolidin-2-one
IUPAC: 1-(4-hydroxycyclohexyl)pyrrolidin-2-one

이름 및 동의어

1-(4-hydroxycyclohexyl)pyrrolidin-2-one895581-20-1RefChem:425657830-796-2886615-37-81-[(1r,4r)-4-hydroxycyclohexyl]pyrrolidin-2-onecis-1-(4-hydroxy-cyclohexyl)-pyrrolidin-2-one1-(trans-4-hydroxy-cyclohexyl)-pyrrolidin-2-one886615-39-0cis-1-(4-Hydroxycyclohexyl)-pyrrolidin-2-one1-((1r,4r)-4-hydroxycyclohexyl)pyrrolidin-2-oneRel-1-((1r,4r)-4-hydroxycyclohexyl)pyrrolidin-2-one

이름 더 보기

starbld0047854SCHEMBL208597SCHEMBL208598SCHEMBL209247CHEMBL4571600JQQONDVCJKOBDE-DTORHVGOSA-NJQQONDVCJKOBDE-KYZUINATSA-NVKB58120

데이터베이스 식별자

CAS: 895581-20-1
PubChem CID: 59299306
ChEMBL: CHEMBL4571600
EC Number: 830-796-2

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 40.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 197

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.