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CAS 123536-15-2

Chemistry, 1 End Use API, 10 Related Intermediates

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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

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Digital Content

(S)-(-)-3-Aminoquinuclidine 2HCl

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CAS Number

119904-90-4

End Use API

A Swiss chemical company specialized in custom design, development, production & sourcing of specialty ch...

A Swiss chemical company specialized in custom design, development, production & sourcing of specialty chemicals, intermediates and Active Pharmaceutical Ingredients. Driven by technological innovation and our passion for chemistry, we apply inspired science to create complete solutions for your business. With over 25 years of experience in highly regulated markets and a vast network of suppliers and manufacturing partners in Europe, Asia and the Americas, we are dedicated to excellence at every step, from the moment we conceive an idea to the moment we bring your product into the market. Excellence made in Switzerland, trusted by the world.

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