Visa Chem

CAS 120570-05-0

Chemistry, 1 End Use API, 10 Related Intermediates

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Also known as: 120570-05-0, (3s)-1-azabicyclo[2.2.2]octan-3-amine, (s)-1-aza-bicyclo[2.2.2]oct-3-ylamine, 1-azabicyclo[2.2.2]octan-3-amine, (s)-, (s)-3-aminoquinuclidine, (s)-3-amino-1-azabicyclo[2.2.2]octane

Molecular Formula

C₇H₁₄N₂

Molecular Weight

126.20 g/mol

InChI Key

REUAXQZIRFXQML-SSDOTTSWSA-N

1 2D Structure

CAS 120570-05-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3S)-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-/m1/s1

2.1.3 InChI Key

REUAXQZIRFXQML-SSDOTTSWSA-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. 120570-05-0

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

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

4. 1-azabicyclo[2.2.2]octan-3-amine, (s)-

5. (s)-3-aminoquinuclidine

6. (s)-3-amino-1-azabicyclo[2.2.2]octane

7. (s)-3-aminoquinuclidine Hydrochloride

8. 1,2-diphenyl Hydrazine

9. (3s)-quinuclidine-3-amine

10. Schembl47241

11. (s)-(-)-3-aminoquinuclidine

12. Schembl17203543

13. Albb-035144

14. Bcp08732

15. Cs-b0281

16. Mfcd08669631

17. Zinc19202661

18. Akos006237379

19. Akos017344552

20. As-39361

21. (s)-1-azabicyclo[2.2.2]oct-3-ylamine

22. (s)-(-)-1-azabicyclo[2.2.2]octan-3-amine

23. (s)-(1-aza-bicyclo[2.2.2]oct-3-yl)amine

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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S-3-Amino Quinuclidine dihydro chloride

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CAS Number

119904-90-4

End Use API

Palonosetron

About the Company

Visa Chem Pvt Ltd stands alongside Chemical Abstracts Services in supporting the Visa Chem goal to be the...

Visa Chem Pvt Ltd stands alongside Chemical Abstracts Services in supporting the Visa Chem goal to be the most authoritative, comprehensive, and indispensable provider of chemistry-related information, in keeping with the Visa Chem Vision of Improving People’s Lives Through the Transforming Power of Chemistry. Visa Chem mostly contains small molecules, but also larger molecules. Chemical compounds including drugs, Nucleotide including siRNAs and miRNAs, Carbohydrates, Lipids, Peptides, Chemically-modified macro molecules

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