CAS 19777-66-3

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3 End Use APIs
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Chemistry

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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

CAS 19777-66-3

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 Formula	C₃H₁₂Cl₂N₂
Molecular Weight	147.04 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	146.0377538 g/mol
Monoisotopic Mass	146.0377538 g/mol
Topological Polar Surface Area	52 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	20.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3