Ethylpiperidin-2-carboxylat

Ethyl piperidine-2-carboxylate

HCID 27517CAS 15862-72-3

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Grundinformationen

Standard-SMILES: CCOC(=O)C1CCCCN1
InChIKey: SZIKRGHFZTYTIT-UHFFFAOYSA-N
Summenformel: C8H15NO2
Durchschnittliche Molmasse: 157,21 g/mol
Monoisotopische Masse: 157,11027872

Namen und Bezeichner

Bevorzugter Name: Ethyl piperidine-2-carboxylate
IUPAC: ethyl piperidine-2-carboxylate
Lokaler Name: Ethylpiperidin-2-carboxylat
Englischer Name: Ethyl pipecolinate
Summenformel: C8H15NO2
Molmasse: 157.21

Namen und Synonyme

15862-72-3Ethyl piperidine-2-carboxylateEthyl 2-piperidinecarboxylateEINECS 239-990-6DTXSID501307286NSC 49360RefChem:596382DTXCID20836045239-990-6Ethyl pipecolinateEthyl Pipecolate2-Piperidinecarboxylic acid, ethyl ester

Weitere Namen anzeigen

H-DL-Pip-OEtEthyl 2-PipecolinateETHYL DL-PIPECOLINATELABOTEST-BB LT002331252-CARBETHOXY PIPERIDINEEthyl pipecolinate, 98+%Ethyl pipecolinate, 95+%

Pipecolic Acid Ethyl EsterMFCD00005980ethylpipecolinate2-Piperidinecarboxylic Acid Ethyl EsterPipecolinic Acid Ethyl EsterDL-Ethyl pipecolinateEthyl pipecolinate, 98%5G6ANH9KDB

Datenbank-Bezeichner

CAS: 15862-72-3
PubChem CID: 27517
DTXSID: DTXSID501307286
UNII: 5G6ANH9KDB
EC Number: 239-990-6
Nikkaji: J219.874F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 38,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 11
Formalladung: 0
Komplexität: 136

Physikochemische Eigenschaften

Siedepunkt: 216 · 216-217 °C (lit.)
Dichte: 1.006 g/mL · 1.006 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.456
Flammpunkt: 115 °F · 115 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: Liquid
pka: 8.4 · 8.40±0.10(Predicted)
Farbe: Clear colorless to light yellow
BRN: 81694 · 81694
InChI: 1S/C8H15NO2/c1-2-11-8(10)7-5-3-4-6-9-7/h7,9H,2-6H2,1H3
InChIKey: SZIKRGHFZTYTIT-UHFFFAOYSA-N
SMILES: CCOC(=O)C1CCCCN1
CAS Datenbank: 15862 · 15862-72-3(CAS DataBase Reference)
NIST chemische Informationen: Ethyl pipecolinate(15862-72-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Sicherheitsdaten

F: 10
wgk: 3
ridadr: UN 1993 3/PG 3
hs_code: 29333990
risk_code: 10-36/37/38-34-20/21
hazard_code: Xi,C
hazard_note: Irritant
safety_code: 26-36-36/37/39
hazard_class: 3
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenReactant for: Combinatorial chemistry with hydrazones Swift hydroamination Synthesis of HCV NS5B polymerase inhibitors Preparation of selective androgen receptor modulators Decarbonylative arylation at sp3 carbon centers Synthesis of quinoline derivatives as selective a2C-adrenoceptor antagonists