CAS 1156491-10-9

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Also known as: 1156491-10-9, (1r,2s)-rel-2-(3,4-difluorophenyl)cyclopropanamine hydrochloride, 1402222-66-5, (1r,2s)-2-(3,4-difluorophenyl)cyclopropanamine hcl, 1006614-49-8, (1r,2s)-2-(3,4-difluorophenyl)cyclopropan-1-amine;hydrochloride

Molecular Formula

C₉H₁₀ClF₂N

Molecular Weight

205.63 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. 1156491-10-9

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

3. 1402222-66-5

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

5. 1006614-49-8

6. (1r,2s)-2-(3,4-difluorophenyl)cyclopropan-1-amine;hydrochloride

7. (1r,2s)-2-(3,4-difluoro-phenyl)-cyclopropylamine Hydrochloride

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

9. Mfcd16875501

10. (1r,2s)-2-(3,4-difluorophenyl)cyclopropan-1-amine Hydrochloride

11. Schembl15058586

12. Amy3284

13. Cs-m1888

14. Cs-m2272

15. Akos016004061

16. Ex-7184

17. Cyclopropanamine, 2-(3,4-difluorophenyl)-, Hydrochloride (1:1), (1r,2s)-rel-

18. Ac-29734

19. As-19951

20. Db-126228

21. D97169

22. A846831

23. A885884

24. Trans-2-(3,4-difluorophenyl)cyclopropanamine Hcl

25. J-500274

26. (1r,25)-2-(3,4-difluorophenyl)cyclopropaneamine Hcl

27. (1r,2s)-rel-2-(3,4-difluorophenyl)cyclopropanamine Hcl

28. (1r,2s)-rel-2-(3,4-difluorophenyl)cyclopropanaminehydrochloride

29. (1r-trans)-2-(3,4-difluorophenyl)cyclopropaneamine Hydrochloride

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

2.3 Create Date

2011-05-31

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₀ClF₂N
Molecular Weight	205.63 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	205.0469833 g/mol
Monoisotopic Mass	205.0469833 g/mol
Topological Polar Surface Area	26 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	174
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