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CHEMISTRY
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Chemistry

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Also known as: 103831-11-4, Pyrrolidin-3-amine dihydrochloride, 3-aminopyrrolidine dihcl, Pyrrolidin-3-amine;dihydrochloride, 3-pyrrolidinamine, dihydrochloride, Mfcd00060176

Molecular Formula

C₄H₁₂Cl₂N₂

Molecular Weight

159.05 g/mol

InChI Key

NJPNCMOUEXEGBL-UHFFFAOYSA-N

1 2D Structure

3-Aminopyrrolidine dihydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

pyrrolidin-3-amine;dihydrochloride

2.1.2 InChI

InChI=1S/C4H10N2.2ClH/c5-4-1-2-6-3-4;;/h4,6H,1-3,5H2;2*1H

2.1.3 InChI Key

NJPNCMOUEXEGBL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CNCC1N.Cl.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 103831-11-4

2. Pyrrolidin-3-amine Dihydrochloride

3. 3-aminopyrrolidine Dihcl

4. Pyrrolidin-3-amine;dihydrochloride

5. 3-pyrrolidinamine, Dihydrochloride

6. Mfcd00060176

7. 3-aminopyrrolidine 2hcl

8. Mfcd00070605

9. Pyrrolidin-3-amine 2hcl

10. 4-nitrophenolsodiumsalt

11. Schembl555933

12. 3-pyrrolidinamine Dihydrochloride

13. Pyrrolidin-3-aminedihydrochloride

14. Dtxsid00583661

15. 3-amino-pyrrolidine Dihydrochloride

16. Act01710

17. Akos015844825

18. Ab02820

19. Ab02823

20. Am85320

21. Cs-w016190

22. 3-aminopyrrolidine Dihydrochloride, 98%

23. Ac-28106

24. As-13092

25. Sy005919

26. Sy057131

27. Db-011193

28. Db-040488

29. Ft-0604720

30. Ft-0604730

31. Ft-0615068

32. Pyrrolidin-3-amine--hydrogen Chloride (1/2)

33. (^+)-3-aminopyrrolidine Dihydrochloride, 98%

34. A800819

35. J-001042

2.3 Create Date

2007-07-12

3 Chemical and Physical Properties

Molecular Formula	C₄H₁₂Cl₂N₂
Molecular Weight	159.05 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	158.0377538 g/mol
Monoisotopic Mass	158.0377538 g/mol
Topological Polar Surface Area	38 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	44.8
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3