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Also known as: 22795-99-9, (s)-(1-ethylpyrrolidin-2-yl)methanamine, (s)-2-(aminomethyl)-1-ethylpyrrolidine, [(2s)-1-ethylpyrrolidin-2-yl]methanamine, (s)-1-ethyl-2-aminomethylpyrrolidine, (2s)-2-aminomethyl-1-ethylpyrrolidine
Molecular Formula
C7H16N2
Molecular Weight
128.22  g/mol
InChI Key
UNRBEYYLYRXYCG-ZETCQYMHSA-N

CAS 22795-99-9
1 2D Structure

CAS 22795-99-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[(2S)-1-ethylpyrrolidin-2-yl]methanamine
2.1.2 InChI
InChI=1S/C7H16N2/c1-2-9-5-3-4-7(9)6-8/h7H,2-6,8H2,1H3/t7-/m0/s1
2.1.3 InChI Key
UNRBEYYLYRXYCG-ZETCQYMHSA-N
2.1.4 Canonical SMILES
CCN1CCCC1CN
2.1.5 Isomeric SMILES
CCN1CCC[C@H]1CN
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 22795-99-9

2. (s)-(1-ethylpyrrolidin-2-yl)methanamine

3. (s)-2-(aminomethyl)-1-ethylpyrrolidine

4. [(2s)-1-ethylpyrrolidin-2-yl]methanamine

5. (s)-1-ethyl-2-aminomethylpyrrolidine

6. (2s)-2-aminomethyl-1-ethylpyrrolidine

7. 2-pyrrolidinemethanamine, 1-ethyl-, (2s)-

8. (s)-(-)-2-(aminomethyl)-1-ethylpyrrolidine

9. Mfcd00191371

10. (s)-(-)-2-(aminomethyl)-1-ethylpyrrolidine, 98%

11. C7h16n2

12. (s)-2-aminomethyl-1-ethylpyrrolidine

13. (-)-1-ethyl-2-(aminomethyl)pyrrolidine

14. Schembl335433

15. Dtxsid20349185

16. Zinc19230162

17. Akos015854574

18. Cs-w002498

19. (2s)-1-ethylpyrrolidine-2-methanamine

20. As-13187

21. (s)-(-)-amino Methyl-1-ethylpyrrolidine

22. (-)-(s)-2-aminomethyl-1-ethylpyrrolidine

23. (s)-(-)-1-ethyl-2-aminomethylpyrrolidine

24. (s)-(_)-2-aminomethyl-1-ethylpyrrolidine

25. Db-024547

26. (2s)-(-)-1-ethyl-2-aminomethylpyrrolidine

27. A1301

28. A4852

29. [[(2s)-1-ethylpyrrolidin-2-yl]methyl]amine

30. 1-[(2s)-1-ethylpyrrolidin-2-yl]methanamine

31. (s)-(-)-2-aminomethyl-1-ethylpyrrolidine, 96%

32. 795a999

2.3 Create Date
2005-07-09
3 Chemical and Physical Properties
Molecular Weight 128.22 g/mol
Molecular Formula C7H16N2
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass128.131348519 g/mol
Monoisotopic Mass128.131348519 g/mol
Topological Polar Surface Area29.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity83
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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