Ethyl 2-(piperidin-4-yl)acetate

HCID 2760465CAS 59184-90-6

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Grundinformationen

Standard-SMILES: CCOC(=O)CC1CCNCC1
InChIKey: IHSUFLCKRIHFGY-UHFFFAOYSA-N
Summenformel: C9H17NO2
Durchschnittliche Molmasse: 171,24 g/mol
Monoisotopische Masse: 171,12592878

Namen und Bezeichner

Bevorzugter Name: Ethyl 2-(piperidin-4-yl)acetate
IUPAC: ethyl 2-piperidin-4-ylacetate
Englischer Name: 2-(Piperidin-4-yl)-acetic acid ethyl ester
Summenformel: C9H17NO2
Molmasse: 171.24

Namen und Synonyme

ethyl 2-(piperidin-4-yl)acetateRefChem:594044673-023-259184-90-62-(piperidin-4-yl)-acetic acid ethyl esterethyl piperidin-4-ylacetateethyl 2-piperidin-4-ylacetateMFCD021835754-Piperidineacetic acid, ethyl esterethyl 4-piperidineacetateEthyl 2-(4-piperidyl)acetateethyl 2-(4-piperidinyl)acetate

Weitere Namen anzeigen

methyl 2-(4-piperidyl)acetate4-piperidine Acetate Ethyl Ester2-piperidine Acetate Ethyl Estermethyl 2-piperidin-4-ylethanoatePIPERIDINE-4-YL-ACETIC ETHYL ESTER4-PIPERADINEACETIC ACID ETHYL ESTER

Ethyl 4-piperidinylacetateEthyl (piperidin-4-yl)acetateethyl 4-piperidine acetate4-(ethoxycarbonylmethyl)piperidine4-piperidineacetic acid ethyl esterCS-W002927EN300-304594-piperidine acetic acid ethyl ester

Datenbank-Bezeichner

CAS: 59184-90-6
PubChem CID: 2760465
DTXSID: DTXSID90375173
EC Number: 673-023-2
Nikkaji: J935.588J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 38,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 12
Formalladung: 0
Komplexität: 141

Physikochemische Eigenschaften

Schmelzpunkt: 192 °C · 192 °C (decomp)
Siedepunkt: 67 °C/0.22mm · 67°C/0.22mm
Dichte: 0.969 · 0.969±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
Aggregatzustand: liquid
pka: 10.41 · 10.41±0.10(Predicted)
CAS Datenbank: 59184 · 59184-90-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.