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CAS 3399-73-3 manufacturers and suppliers on PharmaCompass

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CAS 3399-73-3
Also known as: 3399-73-3, 1-cyclohexene-1-ethanamine, 2-(cyclohex-1-en-1-yl)ethanamine, Cyclohexenylethylamine, 2-(cyclohexen-1-yl)ethanamine, 1-cyclohexen-1-ylethylamine
Molecular Formula
C8H15N
Molecular Weight
125.21  g/mol
InChI Key
IUDMXOOVKMKODN-UHFFFAOYSA-N
FDA UNII
88S899CWZ5

1 2D Structure

CAS 3399-73-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(cyclohexen-1-yl)ethanamine
2.1.2 InChI
InChI=1S/C8H15N/c9-7-6-8-4-2-1-3-5-8/h4H,1-3,5-7,9H2
2.1.3 InChI Key
IUDMXOOVKMKODN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CCC(=CC1)CCN
2.2 Other Identifiers
2.2.1 UNII
88S899CWZ5
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 3399-73-3

2. 1-cyclohexene-1-ethanamine

3. 2-(cyclohex-1-en-1-yl)ethanamine

4. Cyclohexenylethylamine

5. 2-(cyclohexen-1-yl)ethanamine

6. 1-cyclohexen-1-ylethylamine

7. 2-(cyclohex-1-en-1-yl)ethan-1-amine

8. Cyclohex-1-ene-1-ethylamine

9. 2-(1-cyclohexen-1-yl)ethylamine

10. 88s899cwz5

11. .beta.-(1-cyclohexenyl)ethylamine

12. Nsc-26453

13. Beta-(1-cyclohexenyl)ethylamine

14. Einecs 222-267-4

15. Nsc 26453

16. Chea

17. 2-cyclohexenylethanamine

18. 2-cyclohexenyl Ethylamine

19. 2-aminoethyl-1-cyclohexene

20. Schembl132152

21. Unii-88s899cwz5

22. 2-(1-cyclohexenyl)-ethylamine

23. 2-(cyclohexen-1-yl)ethylamine

24. Dtxsid1063011

25. Amy14247

26. Nsc26453

27. Str04086

28. Zinc4261977

29. 1-(2-aminoethyl)cyclohexene

30. Mfcd00012058

31. Stl141069

32. 2-(1-cyclohexen-1-yl)ethanamine #

33. 2-(1-cyclohexenyl)ethylamine, 97%

34. Akos000120455

35. Db-023504

36. Ft-0608367

37. D87820

38. W-109892

39. F2190-0383

40. [1,2-bis(diphenylphosphino)ethane] Palladium(ii) Dichloride

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 125.21 g/mol
Molecular Formula C8H15N
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass125.120449483 g/mol
Monoisotopic Mass125.120449483 g/mol
Topological Polar Surface Area26 Ų
Heavy Atom Count9
Formal Charge0
Complexity105
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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