1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-azabicyclo[2.2.2]octan-3-ylmethanamine;dihydrochloride

2.1.2 InChI

InChI=1S/C8H16N2.2ClH/c9-5-8-6-10-3-1-7(8)2-4-10;;/h7-8H,1-6,9H2;2*1H

2.1.3 InChI Key

IWUXYDCAXVQVRL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CN2CCC1C(C2)CN.Cl.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 865887-14-5

2. Quinuclidin-3-ylmethanamine 2hcl

3. 1-azabicyclo[2.2.2]octan-3-ylmethanamine;dihydrochloride

4. Schembl1966490

5. Mfcd28891691

6. Quinuclidin-3-ylmethanaminedihydrochloride

7. Quinuclidin-3-ylmethanamine Dihydrochloride

8. C77543

9. 1-(1-azabicyclo[2.2.2]oct-3-yl)methanamine Dihydrochloride

2.3 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₈Cl₂N₂
Molecular Weight	213.15 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	212.0847040 g/mol
Monoisotopic Mass	212.0847040 g/mol
Topological Polar Surface Area	29.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	116
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3

CAS 865887-14-5