Prolinol, (R)-

HCID 2724541CAS 23356-96-9

기본 정보

표준 SMILES: OC[C@H]1CCCN1
InChIKey: HVVNJUAVDAZWCB-RXMQYKEDSA-N
분자식: C5H11NO
평균 분자량: 101.15 g/mol
단동위원소 질량: 101.08406397

개요

D-prolinol is the D-enantiomer of prolinol. Metabolite observed in cancer metabolism. It has a role as a human metabolite.

이름 및 식별자

우선 이름: Prolinol, (R)-
IUPAC: [(2R)-pyrrolidin-2-yl]methanol

이름 및 동의어

D-Prolinol68832-13-3(R)-Pyrrolidin-2-ylmethanol[(2R)-pyrrolidin-2-yl]methanol(2R)-pyrrolidin-2-ylmethanol(2r)-2-pyrrolidinemethanol(R)-2-PYRROLIDINEMETHANOL(R)-PROLINOLProlinol, (R)-2-PYRROLIDINEMETHANOL, (2R)-(R)-(-)-2-(Hydroxymethyl)pyrrolidine(-)-2-pyrrolidinemethanol

이름 더 보기

2-Pyrrolidinemethanol, (R)-(R)-(-)-PROLINOL(2R)-2-Hydroxymethylpyrrolidine(R)-1-Pyrrolidin-2-ylmethanolH52Z235V6Y(r)-pyrrolidin-2-methanol(R)-2-(HYDROXYMETHYL)PYRROLIDINE(r)-(-)-pyrrolidine-2-methanol

데이터베이스 식별자

CAS: 23356-96-9、68832-13-3
PubChem CID: 2724541
DTXSID: DTXSID301020303
ChEBI: CHEBI:84258
UNII: H52Z235V6Y
EC Number: 245-605-2、629-147-4
Nikkaji: J3.528I

물성

구조 계산 물성

XLogP: -0.3
극성 표면적: 32.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 7
형식 전하: 0
복잡도: 56

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H315 (94.7%): 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)

Aggregated GHS information provided per 57 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

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