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CAS 1156491-10-9
PharmaCompass
CAS 1156491-10-9
Also known as: (1r,2s)-2-(3,4-difluorophenyl)cyclopropanamine hydrochloride, 1156491-10-9, (1r,2s)-rel-2-(3,4-difluorophenyl)cyclopropanamine hydrochloride, 1402222-66-5, (1r,2s)-2-(3,4-difluorophenyl)cyclopropanamine hcl, (1r,2s)-2-(3,4-difluoro-phenyl)-cyclopropylamine hydrochloride
Molecular Formula
C9H10ClF2N
Molecular Weight
205.633  g/mol
InChI Key
IMYLOCHFFLYHPS-RDNZEXAOSA-N

1 2D Structure

CAS 1156491-10-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine;hydrochloride
2.1.2 InChI
InChI=1S/C9H9F2N.ClH/c10-7-2-1-5(3-8(7)11)6-4-9(6)12;/h1-3,6,9H,4,12H2;1H/t6-,9+;/m0./s1
2.1.3 InChI Key
IMYLOCHFFLYHPS-RDNZEXAOSA-N
2.1.4 Canonical SMILES
C1C(C1N)C2=CC(=C(C=C2)F)F.Cl
2.1.5 Isomeric SMILES
C1[C@H]([C@@H]1N)C2=CC(=C(C=C2)F)F.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. (1r,2s)-2-(3,4-difluorophenyl)cyclopropanamine Hydrochloride

2. 1156491-10-9

3. (1r,2s)-rel-2-(3,4-difluorophenyl)cyclopropanamine Hydrochloride

4. 1402222-66-5

5. (1r,2s)-2-(3,4-difluorophenyl)cyclopropanamine Hcl

6. (1r,2s)-2-(3,4-difluoro-phenyl)-cyclopropylamine Hydrochloride

7. (1r,2s)-2-(3,4-difluorophenyl)cyclopropan-1-amine Hydrochloride

8. C9h10clf2n

9. Schembl15058586

10. Ctk8b9661

11. Molport-023-331-809

12. Cs-m1888

13. Cs-m2272

14. Ks-00001ff5

15. Anw-62856

16. Cd0023

17. Mfcd16875501

18. Akos016004061

19. An-3494

20. Ex-7184

21. Ne64664

22. Qc-4588

23. Ak101593

24. Ak144635

25. As-19951

26. Ab0077194

27. Kb-334047

28. Tc-151601

29. Bg01515790

30. St24033575

31. Z2021

32. En300-196973

33. X-2688

34. J-500274

35. (1r,25)-2-(3,4-difluorophenyl)cyclopropaneamine Hcl

36. (1r Trans)-2-(3,4-difluorophenyl)cyclopropane Amine.hcl

37. Trans-2-(3,4-difluorophenyl)cyclopropanamine Hydrochloride

38. (1r,2s)-2-(3,4-difluorophenyl)cyclopropylamine Hydrochloride

39. Cyclopropanamine,2-(3,4-difluorophenyl)-,hydrochloride(1:1),(1r,2s)-

2.3 Create Date
2011-05-31
3 Chemical and Physical Properties
Molecular Weight 205.633 g/mol
Molecular Formula C9H10ClF2N
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass205.047 g/mol
Monoisotopic Mass205.047 g/mol
Topological Polar Surface Area26 A^2
Heavy Atom Count13
Formal Charge0
Complexity174
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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