(S)-3-Hydroxypyrrolidine hydrochloride

HCID 22309122

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 122536-94-1
표준 SMILES: Cl.O[C@H]1CCNC1
InChIKey: QPMSJEFZULFYTB-WCCKRBBISA-N
분자식: C4H10ClNO
평균 분자량: 123.58 g/mol
단동위원소 질량: 123.04509162

이름 및 식별자

우선 이름: (S)-3-Hydroxypyrrolidine hydrochloride
IUPAC: (3S)-pyrrolidin-3-ol;hydrochloride
영어명: (S)-3-Hydroxypyrrolidine hydrochloride
분자식: C4H10ClNO
분자량: 123.58

이름 및 동의어

(S)-3-Hydroxypyrrolidine hydrochlorideRefChem:408011672-315-7122536-94-1(s)-pyrrolidin-3-ol hydrochloride(3S)-pyrrolidin-3-ol hydrochloride(s)-3-pyrrolidinol hydrochloride3-Pyrrolidinol, hydrochloride (1:1), (3S)-(3S)-pyrrolidin-3-ol;hydrochlorideMFCD002722983-Pyrrolidinol, hydrochloride, (3S)-(s)-(+)-3-pyrrolidinol hydrochloride

이름 더 보기

TIMTEC-BB SBB004272(S)-3-hydroxypyrroL(S)-3-Hydroxypyrro HClS-(+)-3-PyrrolidinolHCl(S)-PYRROLIDIN-3-OL HCL(3S)-3-Pyrrolidinol HCl3-(S)-HYDROXYPYRROLIDINE HCL(S)-3-HYDROXY PYRROLIDINE HCL3(S)-3-HYDROXY-PYRROLIDINE HCL

XY8EDF8GSP(S)-3-PYRROLIDINOL HCL(3S)-3-HYDROXYPYRROLIDINE HYDROCHLORIDE3-Pyrrolidinol hydrochloride, (3S)-3-Pyrrolidinol, hydrochloride, (S)-(S)-3-Hydroxypyrrolidine HCl(3S)-3-Hydroxypyrrolidine Hydrochloride; (3S)-3-Pyrrolidinol Hydrochloride; (3S)-Pyrrolidin-3-ol Hydrochloride; (S)-3-Hydroxypyrrolidine Hydrochloride; (S)-3-Pyrrolidinol Hydrochloride; 3(S)-Hydroxypyrrolidine Hydrochloride(S)-3-Hydroxypyrrolidinehydrochloride

데이터베이스 식별자

CAS: 122536-94-1
PubChem CID: 22309122
DTXSID: DTXSID30624556
UNII: XY8EDF8GSP
EC Number: 672-315-7

물성

구조 계산 물성

극성 표면적: 32.3 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 46.8

물리화학적 성질

녹는점: 104 · 104-107°C
끓는 점: 108 · 108-110℃/8mm
저장 조건: Inert atmosphere,Room Temperature
용해도: DMSO(적게), 메탄올(약간)에 용해됨
물리적 상태: 고체
색상: 미색부터 페일 베이지까지
안정성: 흡습성
InChI: InChI=1/C4H9NO.ClH/c6-4-1-2-5-3-4;/h4-6H,1-3H2;1H/t4-;/s3
InChIKey: QPMSJEFZULFYTB-NDILARRWNA-N
SMILES: O[C@@H]1CNCC1.Cl |&1:1,r|

화학적 성질

almost white crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 10% (1 of 10) of reports.

Danger

H315 (90%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 10 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (90%)

안전 데이터

HS 번호: 29339900
risk_code: -36/37/38
hazard_code: Xi
safety_code: 26-37

화학 및 산업

응용 분야

용도(S)-3-Hydroxypyrrolidine Hydrochloride is a useful intermediate for the synthesis of Asimadoline Hydrochlorine (A788250), used in the treatment of IBS, a disorder associated with pain and altered bowel function.

상·하류 제품 정보

상류 원료

하류 제품

LOXO-101(황산염)

공급사100 곳

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

安徽建竹生物科技有限公司15855184105 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

화합물 노트

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