(±) -Epibatidine

CAT: 0926-FE171117-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-FE171117-02Size:25 mg

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CAS Number

148152-66-3

Synonyms

Exo- (±) -2- (6-Chloro-3-pyridinyl) -7-azabicyclo[2.2.1]heptane

Smiles

C1C[C@H]2[C@@H] (C[C@@H]1N2) C3=CN=C (C=C3) Cl

Molecular Formula

C11H13ClN2

Molecular Weight

208.69 g/mol

Controlled

Chemical Information

(1S,2S,4R)-2-(6-Chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane

(+)-epibatidine is an organic molecular entity.

CAS Number	148152-66-3
PubChem CID	3073763
IUPAC Name	(1S,2S,4R)-2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
Molecular Formula	C11H13ClN2
Molecular Weight	208.69
XLogP	2.2
Topological Polar Surface Area	24.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	221

SMILES

C1C[C@H]2[C@@H](C[C@@H]1N2)C3=CN=C(C=C3)Cl

InChI

InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m1/s1

InChIKey

NLPRAJRHRHZCQQ-UTLUCORTSA-N

Chemical Structure

2D Structure

CAS: 148152-66-3

CID: 3073763

Formula: C11H13ClN2

MW: 208.69

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	208.69
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	208.0767261
Monoisotopic Mass	208.0767261
Topological Polar Surface Area	24.9 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	221
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes