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ACTIVE PHARMA INGREDIENTS

1 API Suppliers, 1 USDMF, $ API Reference Price

1 API Suppliers
1 USDMF
$ API Reference Price

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

API REF. PRICE (USD/KG)

$ 604

MARKET PLACE

API

FDF

0INTERMEDIATES

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Canada

Australia

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USP

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Chemistry

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Also known as: Azepane, 111-49-9, Hexahydroazepine, Perhydroazepine, Homopiperidine, Hexamethylenimine

Molecular Formula

C₆H₁₃N

Molecular Weight

99.17 g/mol

InChI Key

ZSIQJIWKELUFRJ-UHFFFAOYSA-N

FDA UNII

CZD076G73R

1 2D Structure

Hexahydroazepine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

azepane

2.1.2 InChI

InChI=1S/C6H13N/c1-2-4-6-7-5-3-1/h7H,1-6H2

2.1.3 InChI Key

ZSIQJIWKELUFRJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CCCNCC1

2.2 Other Identifiers

2.2.1 UNII

CZD076G73R

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Hexahydroazepine

2. Hexahydroazepine Hydrochloride

3. Perhydroazepine

2.3.2 Depositor-Supplied Synonyms

1. Azepane

2. 111-49-9

3. Hexahydroazepine

4. Perhydroazepine

5. Homopiperidine

6. Hexamethylenimine

7. Hexahydro-1h-azepine

8. 1h-azepine, Hexahydro-

9. Azacycloheptane

10. 1-azacycloheptane

11. Azepan

12. Cyclohexamethylenimine

13. Hexamethylene Imine

14. Azepine, Hexahydro-

15. Nsc 16236

16. Mfcd00006934

17. Czd076g73r

18. G 0

19. Chebi:32616

20. Nsc-16236

21. Dsstox_cid_6879

22. Dsstox_rid_78234

23. Dsstox_gsid_26879

24. Cycloheptane, 1-aza-

25. Cas-111-49-9

26. Hsdb 562

27. Einecs 203-875-9

28. Un2493

29. Brn 0001084

30. Unii-czd076g73r

31. Cp 18407

32. Ai3-26610

33. Ccris 8886

34. Azepane #

35. Hexamethyleneimine, 99%

36. Wln: T7mtj

37. Hexamethylene Imine (hmi)

38. Ec 203-875-9

39. 5-20-04-00003 (beilstein Handbook Reference)

40. Chembl1375444

41. Dtxsid1026879

42. Hexamethyleneimine [hsdb]

43. 2,3,4,5,6,7-hexahydroazepine

44. Act03374

45. Cs-b0958

46. Nsc16236

47. Str01425

48. Zinc3636476

49. Tox21_201482

50. Tox21_303304

51. Stl124104

52. Akos000119078

53. Un 2493

54. 2,3,4,5,6,7-hexahydro-1h-azepine

55. Ncgc00091040-01

56. Ncgc00091040-02

57. Ncgc00257117-01

58. Ncgc00259033-01

59. Bp-30036

60. H0092

61. D77224

62. Hexamethyleneimine [un2493] [flammable Liquid]

63. Q421530

64. J-002592

65. J-521455

66. Z57127566

67. F2190-0324

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₃N
Molecular Weight	99.17 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	99.104799419 g/mol
Monoisotopic Mass	99.104799419 g/mol
Topological Polar Surface Area	12 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	37.4
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

4 Pharmacology and Biochemistry

4.1 Metabolism/Metabolites

HEXAMETHYLENEIMINE WAS FOUND TO BE A URINARY METABOLITE OF THE CARCINOGEN N-NITROSOHEXAMETHYLENEIMINE IN MALE RATS.

GRANDJEAN CJ; METABOLISM OF N-NITROSOHEXAMETHYLENEIMINE; J NATL CANCER INST 57(1) 181 (1976)

HEXAMETHYLENIMINE WAS FOUND TO BE A URINARY METABOLITE OF PIVMECILLINAM IN HUMANS.

HATTORI M ET AL; METABOLITES OF PIVMECILLINAM IN HUMAN URINE; CHEMOTHERAPY (TOKYO) 25(1) 123 (1977)

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API Reference Price

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ACTIVE PHARMA INGREDIENTS

1 API Suppliers

1 USDMF

$ API Reference Price

ACTIVE PHARMA INGREDIENTS

API REF. PRICE (USD/KG)

$ 604

MARKET PLACE

0INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

0 DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

PATENTS & EXCLUSIVITIES

DIGITAL CONTENT

GLOBAL SALES INFORMATION

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

Average Price (USD/KGS)

Number of Transactions

Total Quantity (KGS)

Total Value (USD)

Quantity (KGS) & Unit rate (USD/KGS) over time

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