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2D Structure
Also known as: 111-26-2, Hexan-1-amine, N-hexylamine, 1-aminohexane, 1-hexylamine, 1-hexanamine
Molecular Formula
C6H15N
Molecular Weight
101.19  g/mol
InChI Key
BMVXCPBXGZKUPN-UHFFFAOYSA-N
FDA UNII
CI4E002ZV8

hexylamine is a natural product found in Euglena gracilis and Apis cerana with data available.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
hexan-1-amine
2.1.2 InChI
InChI=1S/C6H15N/c1-2-3-4-5-6-7/h2-7H2,1H3
2.1.3 InChI Key
BMVXCPBXGZKUPN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCCCCN
2.2 Other Identifiers
2.2.1 UNII
CI4E002ZV8
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Hexylamine Hydrobromide

2. Hexylamine Hydrochloride

2.3.2 Depositor-Supplied Synonyms

1. 111-26-2

2. Hexan-1-amine

3. N-hexylamine

4. 1-aminohexane

5. 1-hexylamine

6. 1-hexanamine

7. Hexanamine

8. Mono-n-hexylamine

9. Hexyl Amine

10. Chebi:5712

11. Ci4e002zv8

12. Nsc-2590

13. Nsc 2590

14. Einecs 203-851-8

15. Ent 16554

16. Mfcd00008240

17. Brn 1731298

18. Unii-ci4e002zv8

19. Hexyl-amine

20. Pentylmethanamine

21. Ai3-16554

22. N-n-hexylamine

23. N-hexyl Amine

24. Hexane-1-amine

25. Hexyl Amine-1

26. Hexylamine, 99%

27. Hexylamine [fhfi]

28. Dsstox_cid_1930

29. Ec 203-851-8

30. Dsstox_rid_76409

31. Dsstox_gsid_21930

32. Schembl15939

33. N-c6h13nh2

34. Wln: Z6

35. 4-04-00-00709 (beilstein Handbook Reference)

36. Hexylamine, Analytical Standard

37. Chembl1320720

38. Dtxsid3021930

39. Fema No. 4243

40. Hsdb 8444

41. Nsc2590

42. Amy21942

43. Zinc1531059

44. Tox21_200036

45. Bbl011106

46. Stk802350

47. Akos000119866

48. Hexylamine, Purum, >=98.0% (gc)

49. Ncgc00091816-01

50. Ncgc00091816-02

51. Ncgc00257590-01

52. Bp-30167

53. Bp-31178

54. Cas-111-26-2

55. Vs-02837

56. Ft-0607346

57. H0134

58. C08306

59. Q426238

60. J-002548

61. F2191-0288

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 101.19 g/mol
Molecular Formula C6H15N
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass101.120449483 g/mol
Monoisotopic Mass101.120449483 g/mol
Topological Polar Surface Area26 Ų
Heavy Atom Count7
Formal Charge0
Complexity27.4
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1