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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: Butan-1-amine, N-butylamine, 109-73-9, 1-butanamine, 1-aminobutane, 1-butylamine

Molecular Formula

C₄H₁₁N

Molecular Weight

73.14 g/mol

InChI Key

HQABUPZFAYXKJW-UHFFFAOYSA-N

FDA UNII

N2QV60B4WR

Butylamine is a metabolite found in the aging mouse brain.

1 2D Structure

N-Butylamine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

butan-1-amine

2.1.2 InChI

InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3

2.1.3 InChI Key

HQABUPZFAYXKJW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCN

2.2 Other Identifiers

2.2.1 UNII

N2QV60B4WR

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1-butylamine

2. N-butylamine

3. N-butylamine Hydrobromide

4. N-butylamine Hydrochloride

5. N-butylamine Hydrochloride, 14c-labeled Cpd

2.3.2 Depositor-Supplied Synonyms

1. Butan-1-amine

2. N-butylamine

3. 109-73-9

4. 1-butanamine

5. 1-aminobutane

6. 1-butylamine

7. Monobutylamine

8. N-butylamin

9. Norvalamine

10. Mono-n-butylamine

11. 1-aminobutan

12. 1-amino-butaan

13. Monobutilamina

14. Butanamine

15. Butyl Amine

16. N-butilamina

17. N-butyl Amine

18. Fema No. 3130

19. Norralamine

20. Nsc 8029

21. Mfcd00011690

22. N-c4h9nh2

23. N2qv60b4wr

24. Chebi:43799

25. Nsc-8029

26. N-butylamin [german]

27. N-butilamina [italian]

28. 1-aminobutan [german]

29. Fema Number 3130

30. Monobutilamina [romanian]

31. 1-amino-butaan [dutch]

32. Butylamine, N-

33. Ccris 4756

34. Hsdb 515

35. Einecs 203-699-2

36. Un1125

37. Unii-n2qv60b4wr

38. Aminobutane

39. Butylarnine

40. N-butyiamine

41. Ai3-24197

42. N-butyl-amine

43. Butane-1-amine

44. N-butan-1-amine

45. Normal-butyl Amine

46. N-butylamine Nba

47. Butylamine, 99%

48. Nbunh2

49. 1-butanamine, 9ci

50. Bunh2

51. Aminobutane (related)

52. N-bunh2

53. Butylamine, N

54. Butylamine, >=99%

55. Butylamine, 99.5%

56. 1-amino-butane

57. 1-butanaminen-butilamina

58. Butylamine [fhfi]

59. Dsstox_cid_1904

60. N-butylamine [mi]

61. Ec 203-699-2

62. Butylamine [mart.]

63. Dsstox_rid_76395

64. N-butylamine [hsdb]

65. Nciopen2_009229

66. Dsstox_gsid_21904

67. Wln: Z4

68. Chembl13968

69. Butylamine, Puriss., 99.0%

70. Dtxsid1021904

71. Fema 3130

72. Nsc8029

73. Amy21914

74. Str01992

75. Zinc1586365

76. Tox21_301131

77. Bbl027788

78. Stl308736

79. Akos000118810

80. Butylamine, Purum, >=98.0% (gc)

81. Butylamine, Purum, >=99.0% (gc)

82. Db03659

83. Un 1125

84. Butylamine, Analytical Reference Material

85. Butylamine, Puriss., >=99.5% (gc)

86. Ncgc00248302-01

87. Ncgc00255030-01

88. Bp-30251

89. Cas-109-73-9

90. Lyt

91. B0707

92. Ft-0623326

93. N-butylamine [un1125] [flammable Liquid]

94. Q421035

95. J-002322

96. F2190-0358

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₄H₁₁N
Molecular Weight	73.14 g/mol
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	73.089149355 g/mol
Monoisotopic Mass	73.089149355 g/mol
Topological Polar Surface Area	26 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	13.1
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 Absorption, Distribution and Excretion

... Recovered little ... n-butylamine in the urine after oral administration of the hydrochloride of this compound to humans ...

Clayton, G. D. and F. E. Clayton (eds.). Patty's Industrial Hygiene and Toxicology: Volume 2A, 2B, 2C: Toxicology. 3rd ed. New York: John Wiley Sons, 1981-1982., p. 3141

Amines are well absorbed from gut & respiratory tract. /Aliphatic amines/

Bingham, E.; Cohrssen, B.; Powell, C.H.; Patty's Toxicology Volumes 1-9 5th ed. John Wiley & Sons. New York, N.Y. (2001)., p. 4:690

4.2 Metabolism/Metabolites

Monoamine oxidase and diamine oxidase (histaminase) occur widely in animal tissues ... it is assumed that they play an important part in "detoxication" of amines not normally present /in the body/. /Aliphatic amines/

Clayton, G. D. and F. E. Clayton (eds.). Patty's Industrial Hygiene and Toxicology: Volume 2A, 2B, 2C: Toxicology. 3rd ed. New York: John Wiley Sons, 1981-1982., p. 3141

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