CAS 939412-86-9

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2 End Use APIs
14 Related Intermediates

Chemistry

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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

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 Formula	C₅H₇Cl₂N₃
Molecular Weight	180.03 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	179.0017026 g/mol
Monoisotopic Mass	179.0017026 g/mol
Topological Polar Surface Area	51.8 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	88.3
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2