Ethyl 2-(piperidin-3-yl)acetate hydrochloride

HCID 44118456

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Grundinformationen

CAS: 16780-05-5
Standard-SMILES: CCOC(=O)CC1CCCNC1.Cl
InChIKey: NUFQPPPCFKZWRT-UHFFFAOYSA-N
Summenformel: C9H18ClNO2
Durchschnittliche Molmasse: 207,7 g/mol
Monoisotopische Masse: 207,1026065

Namen und Bezeichner

Bevorzugter Name: Ethyl 2-(piperidin-3-yl)acetate hydrochloride
IUPAC: ethyl 2-piperidin-3-ylacetate;hydrochloride
Englischer Name: Ethyl-3-piperidine acetate HCl
Summenformel: C9H18ClNO2
Molmasse: 207.7

Namen und Synonyme

ethyl 2-(piperidin-3-yl)acetate hydrochlorideRefChem:594042835-970-116780-05-5Ethyl 3-Piperidylacetate Hydrochlorideethyl piperidin-3-ylacetate hydrochlorideETHYL-3-PIPERIDINE ACETATE HCLMFCD08059314Piperidin-3-yl-acetic acid ethyl ester hydrochlorideethyl 2-piperidin-3-ylacetate;hydrochloride2-(Piperidin-3-yl)acetic acid ethyl ester hydrochloride3-Piperidineacetic acid, ethyl ester, hydrochloride (1:1)

Weitere Namen anzeigen

acetate hydrochlorideEthyl 2-(piperidin-3-yl)Ethyl 3-piperidinylacetate hydrochlorideEthyl 3-piperidinylacetate hydrochloride (1:1)

3-piperidineacetic acid ethyl ester hydrochloride3-Piperidineacetic acid, ethyl ester, hydrochloride(R)-3-Piperidine acetate ethyl ester hydrochloride3-Piperidine acetate ethyl ester hydrochlorideSCHEMBL6958695Ethyl piperidin-3-ylacetate HClDTXSID70656851NUFQPPPCFKZWRT-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 16780-05-5
PubChem CID: 44118456
DTXSID: DTXSID70656851
EC Number: 835-970-1

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 38,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 13
Formalladung: 0
Komplexität: 147

Physikochemische Eigenschaften

Schmelzpunkt: 146 ℃ · 146℃
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: solid
InChI: 1S/C9H17NO2.ClH/c1-2-12-9(11)6-8-4-3-5-10-7-8;/h8,10H,2-7H2,1H3;1H
InChIKey: NUFQPPPCFKZWRT-UHFFFAOYSA-N
SMILES: Cl.N1CC(CCC1)CC(=O)OCC

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 2 reports by companies from 2 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.