Ethyl-4-oxopiperidin-3-carboxylat

3-Piperidinecarboxylic acid, 4-oxo-, ethyl ester, hydrochloride (1:1)

HCID 107315CAS 4644-61-5

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Grundinformationen

Standard-SMILES: CCOC(=O)C1CNCCC1=O.Cl
InChIKey: RTYXWLMQWSFXNI-UHFFFAOYSA-N
Summenformel: C8H14ClNO3
Durchschnittliche Molmasse: 207,65 g/mol
Monoisotopische Masse: 207,066221

Namen und Bezeichner

Bevorzugter Name: 3-Piperidinecarboxylic acid, 4-oxo-, ethyl ester, hydrochloride (1:1)
IUPAC: ethyl 4-oxopiperidine-3-carboxylate;hydrochloride
Lokaler Name: Ethyl-4-oxopiperidin-3-carboxylat
Englischer Name: Ethyl 4-piperidone-3-carboxylate hydrochloride
Summenformel: C8H14ClNO3
Molmasse: 207.65

Namen und Synonyme

4644-61-5DTXSID90276035RefChem:1068522DTXCID402273903-PIPERIDINECARBOXYLIC ACID, 4-OXO-, ETHYL ESTER, HYDROCHLORIDE (1:1)225-073-8Ethyl 4-oxopiperidine-3-carboxylateETHYL 4-PIPERIDONE-3-CARBOXYLATE HYDROCHLORIDEethyl 4-oxopiperidine-3-carboxylate hydrochlorideETHYL 4-OXO-3-PIPERIDINECARBOXYLATE HYDROCHLORIDE3-Carbethoxy-4-piperidone hydrochlorideMFCD00043267

Weitere Namen anzeigen

3-Carboethoxy-4-piperidone hydrochloride~Ethyl 4-oxo-piperidine-3-carboxylate hydrochlorideEthylesterHClTIMTEC-BB SBB003473LABOTEST-BB LT00455216(+/-)4-oxo-NipecoticacidEthyl 4-piperidoe-3-carboxylate3-Ethoxycarbonyl-4-piperidinoneEthyl-4-piperidone-3-carboxylateHCl

ethyl 4-oxopiperidine-3-carboxylate;hydrochlorideETHYL 4-PIPERIDONE-3-CARBOXYLATE HCL3-CARBETHOXY-4-PIPERIDONE HCl3-Ethoxycarbonyl-4-piperidone Hydrochloride3-Piperidinecarboxylic acid, 4-oxo-, ethyl ester, hydrochlorideEINECS 225-073-8ethyl 4-oxo-3-piperidinecarboxylate HClethyl 4-oxo-3-piperidine carboxylate hydrochloride

Datenbank-Bezeichner

CAS: 4644-61-5
PubChem CID: 107315
EC Number: 225-073-8

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 55,4 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 13
Formalladung: 0
Komplexität: 191

Physikochemische Eigenschaften

Schmelzpunkt: 169 · 169-175 °C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Wasserlöslichkeit: Soluble in water
Aggregatzustand: powder to crystal
Farbe: White to Brown
BRN: 3711279 · 3711279
InChI: InChI=1S/C8H13NO3.ClH/c1-2-12-8(11)6-5-9-4-3-7(6)10;/h6,9H,2-5H2,1H3;1H
InChIKey: RTYXWLMQWSFXNI-UHFFFAOYSA-N
SMILES: C1(CNCCC1=O)C(=O)OCC.Cl
CAS Datenbank: 4644 · 4644-61-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.