MolPort-001-768-945

Synopsis, Chemistry

PRICE INFORMATION

API Reference Price, API Exports, API Imports, FDF Imports

MARKET PLACE

1 Intermediates

1 Intermediates

Product Search

API SUPPLIERS

API Suppliers

US DMFs Filed

CEP/COS Certifications

JDMFs Filed

Other Certificates

Other Suppliers

API REF. PRICE (USD / KG)

API Market Place

INTERMEDIATES

DOSSIERS // FDF

USA (Orange Book)

Europe

Canada

Australia

South Africa

Uploaded Dossiers

GLOBAL SALES (USD Million)

U.S. Medicaid

Annual Reports

FDF Market Place

EXCIPIENTS

PATENTS & EXCLUSIVITIES

USFDA Orange Book Patents

USFDA Exclusivities

DIGITAL CONTENT

Blog #PharmaFlow

News

REF STANDARD

EDQM

USP

Other Listed Suppliers

SERVICES

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

MolPort-001-768-945

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 Formula	C₆H₁₅N
Molecular Weight	101.19 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	101.120449483 g/mol
Monoisotopic Mass	101.120449483 g/mol
Topological Polar Surface Area	26 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	27.4
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