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Also known as: 939412-86-9, 2-aminomethyl-3-chloropyrazine hcl, (3-chloropyrazin-2-yl)methanamine;hydrochloride, 2-(aminomethyl)-3-chloropyrazine hydrochloride, 2-aminomethyl-3-chloropyrazine hydrochloride, (3-chloropyrazin-2-yl)methanamine, hcl
Molecular Formula
C5H7Cl2N3
Molecular Weight
180.03  g/mol
InChI Key
YYVVOYJKQZWKFS-UHFFFAOYSA-N

CAS 939412-86-9
1 2D Structure

CAS 939412-86-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(3-chloropyrazin-2-yl)methanamine;hydrochloride
2.1.2 InChI
InChI=1S/C5H6ClN3.ClH/c6-5-4(3-7)8-1-2-9-5;/h1-2H,3,7H2;1H
2.1.3 InChI Key
YYVVOYJKQZWKFS-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CN=C(C(=N1)CN)Cl.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 939412-86-9

2. 2-aminomethyl-3-chloropyrazine Hcl

3. (3-chloropyrazin-2-yl)methanamine;hydrochloride

4. 2-(aminomethyl)-3-chloropyrazine Hydrochloride

5. 2-aminomethyl-3-chloropyrazine Hydrochloride

6. (3-chloropyrazin-2-yl)methanamine, Hcl

7. (3-chloropyrazin-2-yl)methanamine Hcl

8. Mfcd09910171

9. 3-chloropyrazin-2-yl)methanamine Hydrochloride

10. (3-chloropyrazin-2-yl);methanamine Hydrochloride

11. Schembl593446

12. Dtxsid00655074

13. 3-chloro-2-pyrazinemethanamine Hcl

14. Bcp20593

15. Akos005258965

16. Cs-w003691

17. Sb10280

18. Ac-31346

19. Ds-14040

20. Sy025231

21. (3-chloropyrazin-2-yl)methanamine Hcl Salt

22. 3-chloro-2-pyrazinemethanamine Hydrochloride

23. Am20070330

24. (3-chloropyrazin-2-yl)methanaminehydrochloride

25. (3-chloropyrazin-2-yl)methanamine.hydrochloride

26. (3-chloro-pyrazin-2-yl)methanamine Hydrochloride

27. (3-chloro-pyrazin-2-yl)-methanamine Hydrochloride

28. A859617

29. C-(3-chloro-pyrazin-2-yl)-methylamine Hydrochloride

30. 3-chloropyrazine-2-yl-methylamine Hydrochloride

31. C-(3-chloropyrazin-2-yl)methylamine Hydrochloride Salt

32. C-(3-chloro-pyrazin-2-yl)-methylamine Hydrochloride Salt

33. F2167-5175

34. 1-(3-chloropyrazin-2-yl)methanamine Hydrochloride

35. 1-(3-chloropyrazin-2-yl)methanamine--hydrogen Chloride (1/1)

2.3 Create Date
2009-06-22
3 Chemical and Physical Properties
Molecular Weight 180.03 g/mol
Molecular Formula C5H7Cl2N3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass179.0017026 g/mol
Monoisotopic Mass179.0017026 g/mol
Topological Polar Surface Area51.8 Ų
Heavy Atom Count10
Formal Charge0
Complexity88.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

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