4-(p-Chlorphenyl)piperidin-4-ol

4-(4-Chlorophenyl)-4-hydroxypiperidine

HCID 38282CAS 39512-49-7

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Grundinformationen

Standard-SMILES: OC1(c2ccc(Cl)cc2)CCNCC1
InChIKey: LZAYOZUFUAMFLD-UHFFFAOYSA-N
Summenformel: C11H14ClNO
Durchschnittliche Molmasse: 211,69 g/mol
Monoisotopische Masse: 211,07639175

Überblick

4-(4-chlorophenyl)-4-hydroxypiperidine is a member of piperidines.

Namen und Bezeichner

Bevorzugter Name: 4-(4-Chlorophenyl)-4-hydroxypiperidine
IUPAC: 4-(4-chlorophenyl)piperidin-4-ol
Lokaler Name: 4-(p-Chlorphenyl)piperidin-4-ol
Englischer Name: 4-(4-Chlorophenyl)piperidin-4-ol
Summenformel: C11H14ClNO
Molmasse: 211.69

Namen und Synonyme

39512-49-74-(4-Chlorophenyl)-4-hydroxypiperidine4-(4-CHLOROPHENYL)-4-PIPERIDINOLUND92FKS0WDTXSID70577334-(4'-Chlorophenyl)-4-piperidinolNSC-89568DTXCID8031522RefChem:513427254-479-84-(4-chlorophenyl)piperidin-4-olLoperamide EP Impurity C

Weitere Namen anzeigen

Loperamide Impurity CNSC 89568Compound Fr13199NMDAR antagonist 3TIMTEC-BB SBB003427LABOTEST-BB LT00233227HALOPERIDOL METABOLITE I4-(4-Chlorophenyl)-4-hydroxy

4-Piperidinol, 4-(4-chlorophenyl)-MFCD000060014-(p-Chlorophenyl)-4-hydroxypiperidine4-(p-Chlorophenyl)piperidin-4-ol4-(Chlorophenyl)-4-hydroxylpiperidineEINECS 254-479-84-Hydroxy-4-(p-chlorophenyl)piperidine4-Hydroxy-4-(4-chlorophenyl)piperidine

Datenbank-Bezeichner

CAS: 39512-49-7
PubChem CID: 38282
DTXSID: DTXSID7057733
ChEMBL: CHEMBL3298755
ChEBI: CHEBI:169225
UNII: UND92FKS0W
EC Number: 254-479-8
Nikkaji: J31.368H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 32,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 184

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)

LogP1.98

Physical DescriptionOff-white powder; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 137 · 137-140 °C (lit.)
Siedepunkt: 344.5 · 344.5±42.0 °C(Predicted)
Dichte: 1.1138 · 1.1138 (rough estimate)
Brechungsindex: 1.6 · 1.6000 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: 340 mg/l · 340mg/l
Aggregatzustand: Crystalline Powder
pka: 13.92 · 13.92±0.20(Predicted)
Farbe: White to creamy-white
PH: 10 · 10 (H2O, 20℃)(saturated solution)
Wasserlöslichkeit: 340 mg/L · 340 mg/L (20 ºC)
BRN: 165923 · 165923
InChI: 1S/C11H14ClNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2
InChIKey: LZAYOZUFUAMFLD-UHFFFAOYSA-N
SMILES: OC1(CCNCC1)c2ccc(Cl)cc2
CAS Datenbank: 39512 · 39512-49-7(CAS DataBase Reference)
NIST chemische Informationen: 4 · 4-(Para-chlorophenyl)-4-hydroxypiperidine(39512-49-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (28.1%): 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)

Aggregated GHS information provided per 57 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 27-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/20416

4-(4-Chlorophenyl)-4-hydroxypiperidine: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCauses analgesia in acute subcutaneous studies of mice; [RTECS] A skin and strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (28.1%)

Sicherheitsdaten

wgk: 3
hs_code: 29333999
risk_code: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-37/39-36
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Irrit. 2Skin Sens. 1