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Chemistry

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Also known as: 1-aminopyrrolidine, Pyrrolidin-1-amine, 16596-41-1, N-aminopyrrolidine, Pyrrolidine, 1-amino-, Aminopyrrolidine
Molecular Formula
C4H10N2
Molecular Weight
86.14  g/mol
InChI Key
SBMSLRMNBSMKQC-UHFFFAOYSA-N
FDA UNII
DF424U7HM6

1-Pyrrolidinamine
1 2D Structure

1-Pyrrolidinamine

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
pyrrolidin-1-amine
2.1.2 InChI
InChI=1S/C4H10N2/c5-6-3-1-2-4-6/h1-5H2
2.1.3 InChI Key
SBMSLRMNBSMKQC-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CCN(C1)N
2.2 Other Identifiers
2.2.1 UNII
DF424U7HM6
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1-aminopyrrolidine

2. Pyrrolidin-1-amine

3. 16596-41-1

4. N-aminopyrrolidine

5. Pyrrolidine, 1-amino-

6. Aminopyrrolidine

7. Df424u7hm6

8. Nsc-80647

9. Pyrrolidin-1-ylamine

10. Pyrrolidylamine

11. Nsc80647

12. Nsc 80647

13. Unii-df424u7hm6

14. Dtxsid40168052

15. Albb-032445

16. Mfcd07368381

17. Zinc19167244

18. Akos003582850

19. Db-005671

20. Bb 0218179

21. Ft-0601174

22. P2560

23. A26943

24. F13227

25. 596a411

26. A810683

27. J-524150

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 86.14 g/mol
Molecular Formula C4H10N2
XLogP3-0.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass86.084398327 g/mol
Monoisotopic Mass86.084398327 g/mol
Topological Polar Surface Area29.3 Ų
Heavy Atom Count6
Formal Charge0
Complexity38.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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