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Overview of 1,2-Propanediamine Dihydrochloride

Client Email Product
4CH-014266
PharmaCompass
4CH-014266
Also known as: (s)-(-)-diaminopropane dihydrochloride, Propane-1,2-diamine dihydrochloride, 62063-19-8, Ac1lap1n, Acmc-209f1o, Acmc-209f1p
Molecular Formula
C3H12Cl2N2
Molecular Weight
147.043  g/mol
InChI Key
AEIAMRMQKCPGJR-UHFFFAOYSA-N

1 2D Structure

4CH-014266

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
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
2.1.3 InChI Key
AEIAMRMQKCPGJR-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(CN)N.Cl.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. (s)-(-)-diaminopropane Dihydrochloride

2. Propane-1,2-diamine Dihydrochloride

3. 62063-19-8

4. Ac1lap1n

5. Acmc-209f1o

6. Acmc-209f1p

7. Schembl202468

8. Ctk8j6740

9. 1,2-propanediaminedihydrochloride

10. 1,2-diaminopropane Dihydrochloride

11. Akos025243742

12. Propylenediamine Dihydrochloride

13. Mcule-5877041140

14. Tra0000075

15. Ac-22047

16. Bc200223

17. He012058

18. Kb-149406

19. 4ch-014266

20. A813938

21. I05-0193

22. 3b1-002748

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 147.043 g/mol
Molecular Formula C3H12Cl2N2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass146.038 g/mol
Monoisotopic Mass146.038 g/mol
Topological Polar Surface Area52 A^2
Heavy Atom Count7
Formal Charge0
Complexity20.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3
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