Quinuclidine

CAT: 1299-RG-E140360-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-E140360-02Size:25 mg

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CAS Number

100-76-5

Synonyms

Quinuclidine

Molecular Formula

C7H13N

Molecular Weight

111.19

Product Name Synonym

Quinuclidine

Chemical Information

Quinuclidine

Quinuclidine is a member of quinuclidines and a saturated organic heterobicyclic parent.

CAS Number	100-76-5
PubChem CID	7527
IUPAC Name	1-azabicyclo[2.2.2]octane
Molecular Formula	C7H13N
Molecular Weight	111.18
XLogP	1.4
Topological Polar Surface Area	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	71

SMILES

C1CN2CCC1CC2

InChI

InChI=1S/C7H13N/c1-4-8-5-2-7(1)3-6-8/h7H,1-6H2

InChIKey

SBYHFKPVCBCYGV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 100-76-5

CID: 7527

Formula: C7H13N

MW: 111.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	111.18
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	111.104799419
Monoisotopic Mass	111.104799419
Topological Polar Surface Area	3.2 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	71.4
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR74105-01	Quinuclidine
sc-250832	Quinuclidine hydrochloride
288490-01	Quinuclidine HCl
P797740	3-Phenylsulphonyloxy-quinuclidine
AR-P01367-01	3- (cyclopentyloxy) quinuclidine
Q01290	Quinuclidine hydrochloride 97%
OR88444-01	Methyl quinuclidine-4-carboxylate
OR471319-01	Ethyl Quinuclidine-4-carboxylate
OR96870-01	Quinuclidine-2-carbonitrile hydrochloride
OR1065618-01	Quinuclidine-3-carboxylic acid