Ethyl-4-hydroxypiperidin-1-carboxylat

Ethyl 4-hydroxypiperidine-1-carboxylate

HCID 96394CAS 65214-82-6

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Grundinformationen

Standard-SMILES: CCOC(=O)N1CCC(O)CC1
InChIKey: QABJNOSERNVHDY-UHFFFAOYSA-N
Summenformel: C8H15NO3
Durchschnittliche Molmasse: 173,21 g/mol
Monoisotopische Masse: 173,10519334

Namen und Bezeichner

Bevorzugter Name: Ethyl 4-hydroxypiperidine-1-carboxylate
IUPAC: ethyl 4-hydroxypiperidine-1-carboxylate
Lokaler Name: Ethyl-4-hydroxypiperidin-1-carboxylat
Englischer Name: Ethyl 4-hydroxypiperidine-1-carboxylate
Summenformel: C8H15NO3
Molmasse: 173.21

Namen und Synonyme

Ethyl 4-hydroxypiperidine-1-carboxylate65214-82-6TR6D7H9MYK1-PIPERIDINECARBOXYLIC ACID, 4-HYDROXY-, ETHYL ESTEREINECS 265-636-5NSC-71891DTXSID50215521NSC 718914-OXYPIPERIDINE-1-CARBOXYLIC ACID ETHYL ESTERRefChem:138773DTXCID80138012265-636-5

Weitere Namen anzeigen

N-CARBETHOXY-4-PIPERIDINOL1-CARBETHOXY-4-HYDROXYPIPERIDINEN-Carbethoxy-4-piperidino1-CARBETHOXY-4-PIPERIDINOLN-Carboethoxypiperidine-4-OlEthyl 4-Hydroxy-1-piperidineEthyl 4-hydroxypiperidine-1-Ethyl 4-hydroxypiperidine-1-ca1-ETHOXYCARBONYL-4-PIPERIDINOL

Ethyl 4-Hydroxy-1-piperidinecarboxylateMFCD00086880N-Carbethoxy-4-hydroxypiperidine4-Hydroxy-1-piperidinecarboxylic Acid Ethyl EsterNSC718911-(Ethoxycarbonyl)-4-hydroxypiperidineEbastine Impurity 23UNII-TR6D7H9MYK

Datenbank-Bezeichner

CAS: 65214-82-6
PubChem CID: 96394
DTXSID: DTXSID50215521
UNII: TR6D7H9MYK
EC Number: 265-636-5
Nikkaji: J27.984F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,4
Polarare Oberfläche (TPSA): 49,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 152

Physikochemische Eigenschaften

Siedepunkt: 120 · 120-130 °C(Press: 0.098 Torr)
Dichte: 1.12 · 1.12
Brechungsindex: 1.4802 · 1.4802
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: clear liquid
pka: 14.8 · 14.80±0.20(Predicted)
Farbe: Colorless to Light yellow to Light orange
InChI: InChI=1S/C8H15NO3/c1-2-12-8(11)9-5-3-7(10)4-6-9/h7,10H,2-6H2,1H3
InChIKey: QABJNOSERNVHDY-UHFFFAOYSA-N
SMILES: N1(C(OCC)=O)CCC(O)CC1
CAS Datenbank: 65214 · 65214-82-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.

Warning

H315 (33.3%): 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 09-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32629

Hazard Classes and CategoriesSkin Irrit. 2 (33.3%)

Sicherheitsdaten

hs_code: 29333990
safety_code: 24/25

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenEthyl 4-hydroxypethidine-1-carboxylate is mainly used as a pharmaceutical intermediate and a raw material for organic matter. It can be used in the synthesis of antihistamines, antipsychotics, antidepressants, and various pesticides. As an intermediate, the compound can also produce fungicides and insecticides. It can be used as a raw material for synthetic surfactants, flavors, and fragrances.