(-)-Epibatidine-L-tartrate

HCID 1204

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Basic information

CAS: 152378-30-8
Standard SMILES: Clc1ccc(C2CC3CCC2N3)cn1
InChIKey: NLPRAJRHRHZCQQ-UHFFFAOYSA-N
Molecular formula: C11H13ClN2
Average molar mass: 208.69 g/mol
Monoisotopic mass: 208.0767261

Names & identifiers

Preferred name: (-)-Epibatidine-L-tartrate
IUPAC: 2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
English name: (-)-epibatidine-l-tartrate
Molecular formula: C11H13ClN2
Molecular weight: 208.69

Names & synonyms

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

Show more names

(-)-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

Database identifiers

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

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 24.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 221

Physicochemical properties

Melting point: 61 · 61-62 °C
Boiling point: 336.7 · 336.7±32.0 °C(Predicted)
Density: 1.223 · 1.223±0.06 g/cm3(Predicted)
storage temp.: 20 °C · −20°C
pka: 10.07 · 10.07±0.40(Predicted)
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 300 · H300-H310
Precautionary statements: 264 · P264-P270-P301+P310-P321-P330-P405-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501
Hazard Codes: T+
Risk Statements: 27 · 27/28
Safety Statements: 28 · 28-36/37-45
RIDADR: 2811 · UN 2811 6.1/PG 1

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 2 (100%)；Acute Tox. 2 (100%)

Safety data

ridadr: UN 2811 6.1/PG 1
risk_code: 27/28
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: T+
safety_code: 28-36/37-45
Hazard statements: H300-H310
Precautionary statements: P264-P270-P301+P310-P321-P330-P405-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501