CAS 22795-99-9

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2 End Use APIs
5 Related Intermediates

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3 Intermediates

3 Intermediates

Chemistry

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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

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 Formula	C₇H₁₆N₂
Molecular Weight	128.22 g/mol
XLogP3	0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	128.131348519 g/mol
Monoisotopic Mass	128.131348519 g/mol
Topological Polar Surface Area	29.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	83
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	1