(S)-3-Hydroxypyrrolidine hydrochloride

HCID 22309122

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Grundinformationen

CAS: 122536-94-1
Standard-SMILES: Cl.O[C@H]1CCNC1
InChIKey: QPMSJEFZULFYTB-WCCKRBBISA-N
Summenformel: C4H10ClNO
Durchschnittliche Molmasse: 123,58 g/mol
Monoisotopische Masse: 123,04509162

Namen und Bezeichner

Bevorzugter Name: (S)-3-Hydroxypyrrolidine hydrochloride
IUPAC: (3S)-pyrrolidin-3-ol;hydrochloride
Englischer Name: (S)-3-Hydroxypyrrolidine hydrochloride
Summenformel: C4H10ClNO
Molmasse: 123.58

Namen und Synonyme

(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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 32,3 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 7
Formalladung: 0
Komplexität: 46,8

Physikochemische Eigenschaften

Schmelzpunkt: 104 · 104-107°C
Siedepunkt: 108 · 108-110℃/8mm
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: DMSO (Sparingly), Methanol (Slightly)
Aggregatzustand: Solid
Farbe: Off-White to Pale Beige
Stabilität: Hygroscopic
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|
CAS Datenbank: 122536 · 122536-94-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (90%)

Sicherheitsdaten

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

Chemie und Industrie

Anwendungen

Verwenden(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.