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CAS 32175-00-1 manufacturers and suppliers on PharmaCompass

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CAS 32175-00-1
Also known as: 32175-00-1, Trans-4-methycyclohexyl isocyanate, 1-isocyanato-4-methylcyclohexane, Trans-4-methylcyclohexylisocyanate, Trans-4-methyl cyclohexyl isocyanate, 38258-74-1
Molecular Formula
C8H13NO
Molecular Weight
139.19  g/mol
InChI Key
SWSXEZOUBBVKCO-UHFFFAOYSA-N

1 2D Structure

CAS 32175-00-1

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. 1-isocyanato-4-methylcyclohexane

4. Trans-4-methylcyclohexylisocyanate

5. Trans-4-methyl Cyclohexyl Isocyanate

6. 38258-74-1

7. 1-isocyanato-4-methyl-cyclohexane

8. 4-methylcyclohexylisocyanate

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

10. 4-methylcyclohexyl Isocyanate

11. Mfcd06411231

12. Trans-1-isocyanato-4-methylcyclohexane

13. 4-methyl Cyclohexyl Isocyanate

14. Isocyanic Acid Trans-4-methylcyclohexyl Ester

15. (1r,4r)-1-isocyanato-4-methylcyclohexane

16. 4-methylcyclohexylisocyanat

17. 4-mchi

18. 32175-01-2

19. Schembl1493050

20. Schembl1992984

21. Schembl13243289

22. Dtxsid00954039

23. Dtxsid201249152

24. Trans-4-methyl Cyclohexylisocyanate

25. Amy37145

26. Bcp28367

27. Trans-4-methyl-cyclohexyl Isocyanate

28. Zinc16696709

29. Akos006294831

30. Akos010079089

31. Zinc100004288

32. Zinc238484476

33. Ac-2126

34. As-10953

35. Sy003166

36. Db-048177

37. Cs-0165185

38. Ft-0639009

39. Ft-0651265

40. Isocyanic Acid, 4-methylcyclohexyl Ester, Cis-

41. 175m001

42. A824085

43. J-018668

44. J-525024

45. (1s,4s)-1-isocyanato-4-methylcyclohexane (glimepiride Impurity)

46. 1-isocyanato-4-methyl-cyclohexane;trans-4-methylcyclohexylisocyanate

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 139.19 g/mol
Molecular Formula C8H13NO
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass139.099714038 g/mol
Monoisotopic Mass139.099714038 g/mol
Topological Polar Surface Area29.4 Ų
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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