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Also known as: 6276-54-6, 3-chloropropan-1-amine hydrochloride, 3-chloropropylamine hcl, 1-amino-3-chloropropane hydrochloride, Mfcd00012913, 3-chloropropan-1-amine;hydrochloride
Molecular Formula
C3H9Cl2N
Molecular Weight
130.01  g/mol
InChI Key
IHPRVZKJZGXTBQ-UHFFFAOYSA-N

CAS 6276-54-6
1 2D Structure

CAS 6276-54-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-chloropropan-1-amine;hydrochloride
2.1.2 InChI
InChI=1S/C3H8ClN.ClH/c4-2-1-3-5;/h1-3,5H2;1H
2.1.3 InChI Key
IHPRVZKJZGXTBQ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C(CN)CCl.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 6276-54-6

2. 3-chloropropan-1-amine Hydrochloride

3. 3-chloropropylamine Hcl

4. 1-amino-3-chloropropane Hydrochloride

5. Mfcd00012913

6. 3-chloropropan-1-amine;hydrochloride

7. 1-propanamine, 3-chloro-, Hydrochloride

8. Chloropropylamine Hydrochloride

9. 3-chloropropylamine-hydrochloride

10. 3-chloropropylammonium Chloride

11. 3-chlotoptopulamine Hcl

12. Schembl398751

13. 3-chloropropylaminehydrochloride

14. Dtxsid00978417

15. 3-chloro-propylamine Hydrochloride

16. 3-chloropropyl Amine Hydrochloride

17. (3-chloropropyl)amine Hydrochloride

18. 3-chloropropan-1-aminehydrochloride

19. Nsc35893

20. Nsc-35893

21. Akos007930111

22. Ac-8352

23. Sb75607

24. 3-chloropropylamine Hydrochloride, 98%

25. As-10837

26. Bp-12400

27. Sy001694

28. Db-054276

29. C1062

30. Cs-0015792

31. Ft-0615523

32. D70608

33. 3-chloropropan-1-amine--hydrogen Chloride (1/1)

34. A833981

35. W-104960

36. F1905-7148

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 130.01 g/mol
Molecular Formula C3H9Cl2N
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass129.0112047 g/mol
Monoisotopic Mass129.0112047 g/mol
Topological Polar Surface Area26 Ų
Heavy Atom Count6
Formal Charge0
Complexity16.4
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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