1-Piperidineacetic acid, ethyl ester

HCID 643466CAS 23853-10-3

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Grundinformationen

Standard-SMILES: CCOC(=O)CN1CCCCC1
InChIKey: LXZHLNWWDDNIOJ-UHFFFAOYSA-N
Summenformel: C9H17NO2
Durchschnittliche Molmasse: 171,24 g/mol
Monoisotopische Masse: 171,12592878

Namen und Bezeichner

Bevorzugter Name: 1-Piperidineacetic acid, ethyl ester
IUPAC: ethyl 2-piperidin-1-ylacetate
Englischer Name: Ethyl 1-piperidineacetate
Summenformel: C9H17NO2
Molmasse: 171.24

Namen und Synonyme

ethyl piperidin-1-ylacetateethyl 2-(piperidin-1-yl)acetate1-piperidineacetic acid, ethyl esterRefChem:435804607-278-8InChI=1/C9H17NO2/c1-2-12-9(11)8-10-6-4-3-5-7-10/h2-8H2,1HEthyl 1-piperidineacetate23853-10-3ethyl 2-piperidin-1-ylacetateMFCD00134496ethyl 2-(1-piperidyl)acetateEthyl (piperidin-1-yl)acetate

Weitere Namen anzeigen

ASISCHEM Z61669ETHYL PIPERDINOACETATEEthyl piperidinoacetateEthyl N-piperidinylacetateEthyl1-piperidineacetate,98%Ethyl 1-piperidineacetate 98%

ethyl 2-piperidylacetateEthyl Piperidine-1-Acetateethyl 1-piperidine acetateEthyl 2-PiperidinylacetateSCHEMBL865518SCHEMBL1377512SCHEMBL3587223Ethyl 1-piperidineacetate, 98%

Datenbank-Bezeichner

CAS: 23853-10-3
PubChem CID: 643466
DTXSID: DTXSID00349188
EC Number: 607-278-8
Nikkaji: J1.553.348J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 29,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 12
Formalladung: 0
Komplexität: 141

Physikochemische Eigenschaften

Siedepunkt: 109 · 109-111 °C/25 mmHg (lit.)
Dichte: 0.984 g/mL · 0.984 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.453(lit.)
Flammpunkt: 196 °F · 196 °F
storage temp.: 2 · Storage temp. 2-8°C
pka: 7.44 · 7.44±0.10(Predicted)
Aggregatzustand: liquid
Wichte: 0.984 · 0.984
BRN: 123142 · 123142
CAS Datenbank: 23853 · 23853-10-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 2933599590
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenReactant for synthesis of: Nicotinic acid receptor agonists for treatment of dyslipidemia 1-Alkylcyclanols with side chain functions Benzhydrylamides for pharmacochemical studiesReactant for: Elimination reactions Hydrogenation of esters to alcohols