05292_FLUKA

Synopsis, Chemistry

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Also known as: 124-20-9, 1,5,10-triazadecane, 4-azaoctamethylenediamine, Spermidin, N1-(3-aminopropyl)butane-1,4-diamine, 4-azaoctane-1,8-diamine

Molecular Formula

C₇H₁₉N₃

Molecular Weight

145.25 g/mol

InChI Key

ATHGHQPFGPMSJY-UHFFFAOYSA-N

FDA UNII

U87FK77H25

A polyamine formed from putrescine. It is found in almost all tissues in association with nucleic acids. It is found as a cation at all pH values, and is thought to help stabilize some membranes and nucleic acid structures. It is a precursor of spermine.

1 2D Structure

05292_FLUKA

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N'-(3-aminopropyl)butane-1,4-diamine

2.1.2 InChI

InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2

2.1.3 InChI Key

ATHGHQPFGPMSJY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C(CCNCCCN)CN

2.2 Other Identifiers

2.2.1 UNII

U87FK77H25

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 124-20-9

2. 1,5,10-triazadecane

3. 4-azaoctamethylenediamine

4. Spermidin

5. N1-(3-aminopropyl)butane-1,4-diamine

6. 4-azaoctane-1,8-diamine

7. N-(3-aminopropyl)butane-1,4-diamine

8. 1,4-butanediamine, N-(3-aminopropyl)-

9. N-(3-aminopropyl)-1,4-butanediamine

10. 1,8-diamino-4-azaoctane

11. N'-(3-aminopropyl)butane-1,4-diamine

12. N-(3-aminopropyl)-1,4-diaminobutane

13. N-(3-aminopropyl)-1,4-butane-diamine

14. 1,4-diaminobutane, N-(3-aminopropyl)-

15. Vmp7 Antigen

16. N-(4-aminobutyl)-1,3-diaminopropane

17. Brn 1698591

18. Ai3-26636

19. Gp130 Signal Transducer

20. (4-aminobutyl)(3-aminopropyl)amine

21. Chembl19612

22. 1,4-butanediamine, N1-(3-aminopropyl)-

23. Chebi:16610

24. U87fk77h25

25. N-(3-aminopropyl)-4-aminobutylamine

26. 133483-05-3

27. 133483-10-0

28. Spd

29. Spermidine Hydrochloride

30. Nsc528399

31. Spermidine Phosphate (salt) Hexahydrate

32. Einecs 204-689-0

33. Mfcd00008229

34. N~1~-(3-azaniumylpropyl)butane-1,4-diaminium

35. Unii-u87fk77h25

36. 1pot

37. Aminopropylbutandiamine

38. N1-(3-aminopropyl)-1,4-butanediamine

39. Spectrum_000005

40. Tocris-0959

41. Spermidine [mi]

42. Spectrum2_000874

43. Spectrum3_000977

44. Spectrum4_001101

45. Spectrum5_001561

46. Lopac-s-2501

47. Spermidine [inci]

48. Biomol-nt_000212

49. Bmse000116

50. Bmse000951

51. Bmse000955

52. Spermidine 0.1 M Solution

53. Spermidine [who-dd]

54. Lopac0_001047

55. Schembl15618

56. Bspbio_002613

57. Kbiogr_001542

58. Kbioss_000345

59. 4-04-00-01300 (beilstein Handbook Reference)

60. Divk1c_001007

61. Spbio_000947

62. Spermidine, >=99% (gc)

63. Spermidine, Analytical Standard

64. Bpbio1_001276

65. Gtpl2390

66. Dtxsid4036645

67. Kbio1_001007

68. Kbio2_000345

69. Kbio2_002913

70. Kbio2_005481

71. Kbio3_001833

72. Ninds_001007

73. Hy-b1776

74. Str06606

75. Zinc1532612

76. Bdbm50009353

77. S3569

78. Akos006222987

79. Ccg-205124

80. Db03566

81. Sdccgmls-0066822.p001

82. Sdccgsbi-0051017.p003

83. Idi1_001007

84. N-(3-aminopropyl)-1,4-diamino-butane

85. Ncgc00015937-01

86. Ncgc00015937-02

87. Ncgc00015937-03

88. Ncgc00015937-04

89. Ncgc00015937-05

90. Ncgc00015937-08

91. Ncgc00024903-01

92. Ncgc00024903-02

93. Ncgc00024903-03

94. Ac-33945

95. N-(gamma-aminopropyl)tetramethylenediamine

96. N1-(3-aminopropyl);butane-1,4-diamine

97. Nci60_004294

98. Db-026892

99. Cs-0013804

100. Ft-0629162

101. C00315

102. D95527

103. S-7300

104. 124s209

105. A890571

106. Q418834

107. Spermidine, Suitable For Cell Culture, Bioreagent

108. N(sup 1)-(3-aminopropyl)-1,4-butanediamine

109. N-(2-amino-propyl)-1,4-diaminobutane; Pa(34)

110. 732a5665-46da-4ad4-9009-fa0688cf6398

111. Spermidine, Bioultra, For Molecular Biology, >=99.5% (gc)

112. Spermidine, Bioreagent, For Molecular Biology, Suitable For Cell Culture, >=98%

113. 1122077-27-3

114. N-(3-aminopropyl)-1,4-butanediamine; Spermidine N-(3-aminopropyl)-1,4-butanediamine; 4-azaoctamethylenediamine; N-(3-aminopropyl)-1,4-diaminobutane~1,8-diamino-4-azaoctane; N-(3-aminopropyl)-1,4-butandiamine

115. Sr0

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₉N₃
Molecular Weight	145.25 g/mol
XLogP3	-1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	145.157897619 g/mol
Monoisotopic Mass	145.157897619 g/mol
Topological Polar Surface Area	64.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	56.8
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