Please Wait
Applying Filters...
Menu
Xls
2D Structure
Also known as: 19777-66-3, (s)-propane-1,2-diamine dihydrochloride, (s)-1,2-diaminopropane dihydrochloride, (2s)-propane-1,2-diamine;dihydrochloride, (s)-1,2-diaminopropane 2hcl, (2s)-propane-1,2-diamine dihydrochloride
Molecular Formula
C3H12Cl2N2
Molecular Weight
147.04  g/mol
InChI Key
AEIAMRMQKCPGJR-QTNFYWBSSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-propane-1,2-diamine;dihydrochloride
2.1.2 InChI
InChI=1S/C3H10N2.2ClH/c1-3(5)2-4;;/h3H,2,4-5H2,1H3;2*1H/t3-;;/m0../s1
2.1.3 InChI Key
AEIAMRMQKCPGJR-QTNFYWBSSA-N
2.1.4 Canonical SMILES
CC(CN)N.Cl.Cl
2.1.5 Isomeric SMILES
C[C@@H](CN)N.Cl.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 19777-66-3

2. (s)-propane-1,2-diamine Dihydrochloride

3. (s)-1,2-diaminopropane Dihydrochloride

4. (2s)-propane-1,2-diamine;dihydrochloride

5. (s)-1,2-diaminopropane 2hcl

6. (2s)-propane-1,2-diamine Dihydrochloride

7. (s)-(-)-1,2-diaminopropane Dihcl

8. (s)-1,2-propanediamine Dihydrochloride

9. 1,2-propanediamine, Dihydrochloride, (s)-

10. S-(-)-propylenediamine Dihydrochloride

11. Mfcd00050706

12. (s)-(-)-diaminopropane Dihydrochloride

13. (s)-propylenediamine Dihydrochloride

14. (s)-(-)-1,2-propylenediamine Dihydrochloride

15. Ec 606-377-3

16. Schembl202467

17. Amy3672

18. Dtxsid10480930

19. Act04807

20. Bcp05857

21. Akos007930112

22. Akos015894250

23. Cs-w008537

24. (s)-propane-1,2-diamine 2hcl

25. (s)-propane-1,2-diaminedihydrochloride

26. (s)-1,2-diaminopropane Dihydrochlo-ride

27. (2s)-1,2-propanediamine Dihydrochloride

28. (s)-(-)-propylenediamine Dihydrochloride

29. As-15789

30. (s)-(+)-1,2-diaminopropane Dihydrochloride

31. D2828

32. 777d663

33. (s)-(-)-1,2-diaminopropane Dihydrochloride, 99%

34. 1,2-propanediamine, Hydrochloride (1:2), (2s)-

35. J-200026

36. (2s)-propane-1,2-diamine--hydrogen Chloride (1/2)

2.3 Create Date
2007-02-07
3 Chemical and Physical Properties
Molecular Weight 147.04 g/mol
Molecular Formula C3H12Cl2N2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass146.0377538 g/mol
Monoisotopic Mass146.0377538 g/mol
Topological Polar Surface Area52 Ų
Heavy Atom Count7
Formal Charge0
Complexity20.9
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3