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Overview of 1-Isocyanato-4-Methylcyclohexane

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1-Isocyanato-4-Methylcyclohexane
PharmaCompass
1-Isocyanato-4-Methylcyclohexane
Also known as: 32175-00-1, Trans-4-methycyclohexyl isocyanate, Trans-4-methylcyclohexyl isocyanate, Trans-4-methyl cyclohexyl isocyanate, Trans-4-methylcyclohexylisocyanate, 1-isocyanato-4-methyl-cyclohexane
Molecular Formula
C8H13NO
Molecular Weight
139.198  g/mol
InChI Key
SWSXEZOUBBVKCO-UHFFFAOYSA-N

1 2D Structure

1-Isocyanato-4-Methylcyclohexane

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-isocyanato-4-methylcyclohexane
2.1.2 InChI
InChI=1S/C8H13NO/c1-7-2-4-8(5-3-7)9-6-10/h7-8H,2-5H2,1H3
2.1.3 InChI Key
SWSXEZOUBBVKCO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1CCC(CC1)N=C=O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 32175-00-1

2. Trans-4-methycyclohexyl Isocyanate

3. Trans-4-methylcyclohexyl Isocyanate

4. Trans-4-methyl Cyclohexyl Isocyanate

5. Trans-4-methylcyclohexylisocyanate

6. 1-isocyanato-4-methyl-cyclohexane

7. 4-methylcyclohexyl Isocyanate

8. 38258-74-1

9. Isocyanic Acid Trans-4-methylcyclohexyl Ester

10. Cis-4-methyl Cyclohexyl Isocyanate

11. Trans-1-isocyanato-4-methylcyclohexane

12. Trans-1-isocyanato-4-methyl-cyclohexane

13. (1r,4r)-1-isocyanato-4-methylcyclohexane

14. Cyclohexane, 1-isocyanato-4-methyl-, Trans-

15. 32175-01-2

16. 4-methyl Cyclohexyl Isocyanate

17. Trans 4-methylcyclohexyl Isocyanate

18. (trans-4-methylcyclohexylisocyanate)

19. Pubchem20720

20. 4-methylcyclohexylisocyanat

21. 4-mchi

22. 4-methylcyclohexylisocyanate

23. Ksc568g4n

24. Schembl1493050

25. Schembl1992984

26. Jsp005960

27. Schembl13243289

28. Ctk4g8346

29. Ks-00000emj

30. Molport-003-987-692

31. Molport-006-666-465

32. Swsxezoubbvkco-uhfffaoysa-n

33. Swsxezoubbvkco-zkchvhjhsa-n

34. Trans-4-methyl Cyclohexylisocyanate

35. Acn-s003913

36. Trans-4-methyl-cyclohexyl Isocyanate

37. Mfcd06411231

38. Sbb067051

39. Zinc16696709

40. Akos006294831

41. Akos010079089

42. Zinc100004288

43. Zinc238484476

44. Ac-2126

45. As04394

46. Cm-1039

47. Rp20550

48. Vz33946

49. Trans-4-methylcyclohexlisocyanate

50. An-14250

51. As-10953

52. Cj-15559

53. Sc-15968

54. Sy003166

55. (1s,4s)-1-isocyanato-4-methylcyclohexane

56. Ab0008462

57. Ab1003702

58. Db-048177

59. Kb-159920

60. Kb-193337

61. Tl8006458

62. Cyclohexane,1-isocyanato-4-methyl-, Trans-

63. Ft-0082992

64. Ft-0639009

65. Ft-0651265

66. A-2191

67. 175m001

68. A824085

69. I01-4132

70. I14-0802

71. J-018668

72. J-525024

73. I14-10648

74. Trans-1-isocyanato-4-methyl-cyclohexane; Trans-4-methycyclohexyl Isocyanate,

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 139.198 g/mol
Molecular Formula C8H13NO
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass139.1 g/mol
Monoisotopic Mass139.1 g/mol
Topological Polar Surface Area29.4 A^2
Heavy Atom Count10
Formal Charge0
Complexity141
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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