(-)-Epibatidine-L-tartrate

HCID 1204

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Grundinformationen

CAS: 152378-30-8
Standard-SMILES: Clc1ccc(C2CC3CCC2N3)cn1
InChIKey: NLPRAJRHRHZCQQ-UHFFFAOYSA-N
Summenformel: C11H13ClN2
Durchschnittliche Molmasse: 208,69 g/mol
Monoisotopische Masse: 208,0767261

Namen und Bezeichner

Bevorzugter Name: (-)-Epibatidine-L-tartrate
IUPAC: 2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
Englischer Name: (-)-epibatidine-l-tartrate
Summenformel: C11H13ClN2
Molmasse: 208.69

Namen und Synonyme

(-)-Epibatidine-L-tartrateRefChem:390963633-970-4(+/-)-Epibatidine148152-66-3CHEMBL6623()-Epibatidine(-)-Epibatidine[3H]EPIBATIDINESR-01000597620[125I]EPIBATIDINECMI 545

Weitere Namen anzeigen

(-)-Epibatidine dihydrochloride7-Azabicyclo[2.2.1]heptane, 2-(6-chloro-3-pyridinyl)-, (1S,2S,4R)-

EpibadidineEpibatidine-(+)Epibatidine-(-)152378-30-8epibatidine (+/-)Epibatidine, (+/-)208/210 Epibatidine2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane

Datenbank-Bezeichner

CAS: 152378-30-8
PubChem CID: 1204
ChEMBL: CHEMBL298826
ChEBI: CHEBI:91678
EC Number: 633-970-4
Nikkaji: J983.316A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 24,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 221

Physikochemische Eigenschaften

Schmelzpunkt: 61 · 61-62 °C
Siedepunkt: 336.7 · 336.7±32.0 °C(Predicted)
Dichte: 1.223 · 1.223±0.06 g/cm3(Predicted)
storage temp.: 20 °C · −20°C
pka: 10.07 · 10.07±0.40(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]；H310 (100%): Fatal in contact with skin [Danger Acute toxicity, dermal]

P262, P264, P270, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 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.