CAS 123536-15-2

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Also known as: 123536-15-2, (3r)-1-azabicyclo[2.2.2]octan-3-amine, 1-azabicyclo[2.2.2]octan-3-amine, (3r)-, (r)-3-aminoquinuclidine, (r)-1-aza-bicyclo[2.2.2]oct-3-ylamine, Chembl1256003

Molecular Formula

C₇H₁₄N₂

Molecular Weight

126.20 g/mol

InChI Key

REUAXQZIRFXQML-ZETCQYMHSA-N

1 2D Structure

CAS 123536-15-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3R)-1-azabicyclo[2.2.2]octan-3-amine

2.1.2 InChI

InChI=1S/C7H14N2/c8-7-5-9-3-1-6(7)2-4-9/h6-7H,1-5,8H2/t7-/m0/s1

2.1.3 InChI Key

REUAXQZIRFXQML-ZETCQYMHSA-N

2.1.4 Canonical SMILES

C1CN2CCC1C(C2)N

2.1.5 Isomeric SMILES

C1CN2CCC1[C@H](C2)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 123536-15-2

2. (3r)-1-azabicyclo[2.2.2]octan-3-amine

3. 1-azabicyclo[2.2.2]octan-3-amine, (3r)-

4. (r)-3-aminoquinuclidine

5. (r)-1-aza-bicyclo[2.2.2]oct-3-ylamine

6. Chembl1256003

7. 3(r)-aminoquinuclidine

8. 3alpha-aminoquinuclidine

9. 1-azabicyclo[2.2.2]octan-3-amine, (r)-

10. (3r)-quinuclidin-3-amine

11. Schembl427062

12. (r)-(+)-3-aminoquinuclidine

13. Schembl14542622

14. Reuaxqzirfxqml-zetcqymhsa-

15. Bdbm50417098

16. Mfcd08669630

17. Zinc19202664

18. (3r)-aminoquinuclidine Dihydrochloride

19. Akos006337754

20. Akos027327929

21. Ncgc00164614-01

22. As-47281

23. (r)-1-azabicyclo[2.2.2]oct-3-ylamine

24. (8s)-1-azabicyclo[2.2.2]octan-8-amine

25. Cs-0001448

26. (r)-(1-aza-bicyclo[2.2.2]oct-3-yl)amine

27. (r)-(+)-1-azabicyclo[2.2.2]octan-3-amine

28. F13073

29. A927560

2.3 Create Date

2005-07-08

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₄N₂
Molecular Weight	126.20 g/mol
XLogP3	-0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	126.115698455 g/mol
Monoisotopic Mass	126.115698455 g/mol
Topological Polar Surface Area	29.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	106
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1