20439-47-8

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2 Suppliers, 2 End Use APIs, 6 Related Intermediates

2 Suppliers
2 End Use APIs
6 Related Intermediates

Chemistry

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Also known as: 20439-47-8, (1r,2r)-cyclohexane-1,2-diamine, 1121-22-8, Trans-1,2-diaminocyclohexane, Trans-1,2-cyclohexanediamine, Trans-cyclohexane-1,2-diamine

Molecular Formula

C₆H₁₄N₂

Molecular Weight

114.19 g/mol

InChI Key

SSJXIUAHEKJCMH-PHDIDXHHSA-N

FDA UNII

88RM10ID0P

1 2D Structure

20439-47-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1R,2R)-cyclohexane-1,2-diamine

2.1.2 InChI

InChI=1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2/t5-,6-/m1/s1

2.1.3 InChI Key

SSJXIUAHEKJCMH-PHDIDXHHSA-N

2.1.4 Canonical SMILES

C1CCC(C(C1)N)N

2.1.5 Isomeric SMILES

C1CC[C@H]([C@@H](C1)N)N

2.2 Other Identifiers

2.2.1 UNII

88RM10ID0P

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1,2-cyclohexanediamine

2. 1,2-cyclohexanediamine, (1r,2r)-

3. 1,2-cyclohexanediamine, (1r-trans)-

4. 1,2-cyclohexanediamine, (1s,2s)-

5. 1,2-cyclohexanediamine, (1s-trans)-

6. 1,2-cyclohexanediamine, (cis)-isomer

7. 1,2-cyclohexanediamine, (trans)-(r)-isomer

8. 1,2-cyclohexanediamine, (trans)-(s)-isomer

9. 1,2-cyclohexanediamine, (trans)-isomer

10. 1,2-dach

11. 1,2-diaminocyclohexane

12. 1,2-diaminocyclohexane, (+)-

13. 1,2-diaminocyclohexane, (-)-

14. 1,2-diaminocyclohexane, Cis-

15. 1,2-diaminocyclohexane, Trans-

16. Cyclohexane-1,2-diamine

17. Dach

18. Meso-1,2-diaminocyclohexane

19. Trans-1,2-cyclohexanediamine

20. Trans-1,2-diaminocyclohexane

2.3.2 Depositor-Supplied Synonyms

1. 20439-47-8

2. (1r,2r)-cyclohexane-1,2-diamine

3. 1121-22-8

4. Trans-1,2-diaminocyclohexane

5. Trans-1,2-cyclohexanediamine

6. Trans-cyclohexane-1,2-diamine

7. (+/-)-trans-1,2-diaminocyclohexane

8. (1r,2r)-(-)-1,2-cyclohexanediamine

9. (1r,2r)-1,2-diaminocyclohexane

10. 1,2-cyclohexanediamine, (1r,2r)-rel-

11. 1,2-cyclohexanediamine, (1r,2r)-

12. 1r,2r-diaminocyclohexane

13. (-)-trans-1,2-diaminocyclohexane

14. (-)-(1r,2r)-1,2-cyclohexanediamine

15. 1,2-diaminocyclohexane, Trans-

16. (+/-)-trans-1,2-cyclohexanediamine

17. 1,2-cyclohexanediamine, (1r-trans)-

18. 37ekl250ee

19. 88rm10id0p

20. (-)-r,r-1,2-diaminocyclohexane

21. (1r,2r)-(-)-diaminocyclohexane

22. (1r)-trans-1,2-diaminocyclohexane

23. Dnh

24. Mfcd00062985

25. 1,2-cyclohexanediamine #

26. 1,2-diaminocyclohexane, (-)-

27. (r,r)-dach

28. Trans-1,2-cyclohexaneiamine

29. (1r,2r)-1,2-cyclohexanediamine

30. (1r,2r)-diaminocyclohexane

31. Unii-37ekl250ee

32. Unii-88rm10id0p

33. Rac-(1r,2r)-cyclohexane-1,2-diamine

34. (1s)-(+)-trans-1,2-diaminocyclohexane

35. Trans-cyclohexane-1

36. 1,2-transdiaminocyclohexane

37. Trans-1,2diaminocyclohexane

38. Schembl73951

39. 1,2-trans-cyclohexanediamine

40. 1,2-trans-diaminocyclohexane

41. Trans 1,2-diaminocyclohexane

42. Trans-1,2 Diaminocyclohexane

43. (1r,2r)-cyclohexane Diamine

44. Trans-1,2-cyclohexane Diamine

45. Trans-1,2-diami-nocyclohexane

46. Trans-1,2-diamino Cyclohexane

47. Trans-1,2-diamino-cyclohexane

48. Trans-1.2-diamino Cyclohexane

49. (r,r)-1,2-diaminocyclohexane

50. Trans-cyclohexane-1,2-di-amine

51. (1r,2r)-(-)diaminocyclohexane

52. Ssjxiuahekjcmh-phdidxhhsa-

53. (r,r)-cyclohexane-1,2-diamine

54. (trans)-cyclohexane-1,2-diamine

55. Cyclohexane, Trans-1,2-diamino-

56. Dtxsid60883654

57. Rac-trans-1,2-diaminocyclohexane

58. Chebi:228823

59. (+)-1,2-trans-diaminocyclohexane

60. (+)-trans-1,2-diaminocyclohexane

61. Trans-(-)-1,2-diaminocyclohexane

62. Cs-m2431

63. Hy-76211a

64. Racemic Trans 1,2-diaminocyclohexane

65. Racemic Trans-1,2 Diaminocyclohexane

66. Racemic Trans-1,2-diaminocyclohexane

67. Trans (+/-) 1,2-cyclohexanediamine

68. (r,r)-(-)-1,2-diaminocyclohexane

69. 1,2-(+/-)-trans-diaminocyclohexane

70. Akos005145909

71. Akos015854170

72. Rel-(1r,2r)-1,2-cyclohexanediamine

73. (+/-)-trans-1,2-diamino Cyclohexane

74. (+/-)-trans-cyclohexane-1,2-diamine

75. Ac-6758

76. (1r)-(-)-trans-1,2-diaminocyclohexane

77. As-12165

78. Bp-10074

79. Hy-41957

80. Trans-n,n'-1,2-cyclohexanediamine

81. Db-002899

82. (+/-)-trans-1,2-diaminocyclohexane, 99%

83. Am20070468

84. Cs-0019667

85. Ns00125421

86. 1,2-diaminocyclohexane, Trans-(-)-

87. (1r,2r)-(-)-1,2-diaminocyclohexane, 98%

88. En300-101371

89. En300-244549

90. F16348

91. A802491

92. A814560

93. A848365

94. Q-200008

95. Q-201850

96. Z1741961110

97. 4-pyridinecarboxaldehyde,3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-,calcium Salt(1:1)

98. Inchi=1/c6h14n2/c7-5-3-1-2-4-6(5)8/h5-6h,1-4,7-8h2/t5-,6-/m1/s1

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₄N₂
Molecular Weight	114.19 g/mol
XLogP3	-0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	52
Heavy Atom Count	8
Formal Charge	0
Complexity	62.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1