CAS 143062-84-4

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Also known as: 143062-84-4, (1r,2s)-2-fluorocyclopropylamine tosylate, (1r,2s)-fluorocyclopropylamine tosylate, 143062-73-1, (1r,2s)-2-fluorocyclopropylamine p-toluenesulfonic acid salt, Cyclopropanamine, 2-fluoro-, cis-, 4-methylbenzenesulfonate

Molecular Formula

C₁₀H₁₄FNO₃S

Molecular Weight

247.29 g/mol

InChI Key

XUWZMHVPMZXIRU-LMLSDSMGSA-N

1 2D Structure

CAS 143062-84-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1R,2S)-2-fluorocyclopropan-1-amine;4-methylbenzenesulfonic acid

2.1.2 InChI

InChI=1S/C7H8O3S.C3H6FN/c1-6-2-4-7(5-3-6)11(8,9)10;4-2-1-3(2)5/h2-5H,1H3,(H,8,9,10);2-3H,1,5H2/t;2-,3+/m.0/s1

2.1.3 InChI Key

XUWZMHVPMZXIRU-LMLSDSMGSA-N

2.1.4 Canonical SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1C(C1F)N

2.1.5 Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1[C@H]([C@H]1F)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 143062-84-4

2. (1r,2s)-2-fluorocyclopropylamine Tosylate

3. (1r,2s)-fluorocyclopropylamine Tosylate

4. 143062-73-1

5. (1r,2s)-2-fluorocyclopropylamine P-toluenesulfonic Acid Salt

6. Cyclopropanamine, 2-fluoro-, Cis-, 4-methylbenzenesulfonate

7. (1r,2s)-2-fluorocyclopropan-1-amine;4-methylbenzenesulfonic Acid

8. (1r,2s)-2-fluorocyclopropan-1-amine; 4-methylbenzene-1-sulfonic Acid

9. Cis-2-fluorocyclopropanamine 4-methylbenzenesulfonate

10. Mfcd01861147

11. (1r,2s)-fluorocyclopropylaminetosylate

12. Ambz0385

13. Schembl1477176

14. (1r,2s)-2-fluorocyclopropanamine4-methylbenzenesulfonate

15. Dtxsid00693592

16. Cs3396

17. Akos015854141

18. Akos016004123

19. Am85581

20. Cs-w005880

21. Ds-3733

22. Ac-22722

23. Ac-23953

24. 062f844

25. Cis-2-fluorocyclopropanamine-4-methylbenzenesulfonate

26. Cis-2-fluorocyclopropanamine4-methylbenzenesulfonate

27. (1r, 2s)-2-fluoro-1-cyclopropylamine P-toluene Sulfonate

28. (1r, 2s)-2-fluorocyclopropylamine 4-methylbenzenesulfonate

29. (1r,2s)-2-fluorocyclopropan-1-amine 4-methylbenzenesulfonate

30. (1r,2s)-2-fluorocyclopropanaminium 4-methylbenzenesulphonate

31. 2-(s)-fluoro-1-(r)-cyclopropylamine P-toluenesulfonic Acid Salt

32. (1r,2s)-2-fluorocyclopropan-1-amine 4-methylbenzene-1-sulfonic Acid

33. 4-methylbenzene-1-sulfonic Acid--(1r,2s)-2-fluorocyclopropan-1-amine (1/1)

2.3 Create Date

2011-09-06

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₄FNO₃S
Molecular Weight	247.29 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	247.06784264 g/mol
Monoisotopic Mass	247.06784264 g/mol
Topological Polar Surface Area	88.8 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	253
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2