CAS 3399-73-3

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CHEMISTRY

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8 Related Intermediates

Chemistry

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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 Formula	C₈H₁₅N
Molecular Weight	125.21 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	125.120449483 g/mol
Monoisotopic Mass	125.120449483 g/mol
Topological Polar Surface Area	26 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	105
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1