CAS 6276-54-6

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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

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 Formula	C₃H₉Cl₂N
Molecular Weight	130.01 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	129.0112047 g/mol
Monoisotopic Mass	129.0112047 g/mol
Topological Polar Surface Area	26 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	16.4
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