CAS 917342-29-1

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BUILDING BLOCK

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1 End Use APIs
9 Related Intermediates

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Also known as: 917342-29-1, 1069120-19-9, Tert-butyl cis-4-(2-hydroxyethyl)-cyclohexylcarbamate, Tert-butyl trans-4-(2-hydroxyethyl)-cyclohexylcarbamate, Tert-butyl cis-4-(2-hydroxyethyl)cyclohexylcarbamate, Tert-butyl trans-4-(2-hydroxyethyl)cyclohexylcarbamate

Molecular Formula

C₁₃H₂₅NO₃

Molecular Weight

243.34 g/mol

InChI Key

KTNFSGIXLVLQNK-UHFFFAOYSA-N

1 2D Structure

CAS 917342-29-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl N-[4-(2-hydroxyethyl)cyclohexyl]carbamate

2.1.2 InChI

InChI=1S/C13H25NO3/c1-13(2,3)17-12(16)14-11-6-4-10(5-7-11)8-9-15/h10-11,15H,4-9H2,1-3H3,(H,14,16)

2.1.3 InChI Key

KTNFSGIXLVLQNK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)NC1CCC(CC1)CCO

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 917342-29-1

2. 1069120-19-9

3. Tert-butyl Cis-4-(2-hydroxyethyl)-cyclohexylcarbamate

4. Tert-butyl Trans-4-(2-hydroxyethyl)-cyclohexylcarbamate

5. Tert-butyl Cis-4-(2-hydroxyethyl)cyclohexylcarbamate

6. Tert-butyl Trans-4-(2-hydroxyethyl)cyclohexylcarbamate

7. 1403764-89-5

8. Tert-butyl N-[4-(2-hydroxyethyl)cyclohexyl]carbamate

9. Tert-butyl 4-(2-hydroxyethyl)cyclohexylcarbamate

10. Mfcd03844626

11. Trans-4-(boc-amino)cyclohexaneethanol

12. Cis-tert-butyl (4-(2-hydroxyethyl)cyclohexyl)carbamate

13. Carbamic Acid, N-[trans-4-(2-hydroxyethyl)cyclohexyl]-, 1,1-dimethylethyl Ester

14. Trans-tert-butyl (4-(2-hydroxyethyl)cyclohexyl)carbamate

15. Tert-butyl [trans-4-(2-hydroxyethyl)cyclohexyl]carbamate

16. 2-[4-(boc-amino)cyclohexyl]ethanol

17. Schembl619803

18. Schembl619804

19. Schembl12440132

20. Dtxsid301168955

21. Mfcd03844625

22. Mfcd22628284

23. Akos027324556

24. Zinc100007028

25. Zinc100007353

26. As-43519

27. Ds-11524

28. Sy100092

29. Sy277959

30. Db-096726

31. Db-101994

32. Cs-0008599

33. Cs-0212753

34. Tert-butyl4-(2-hydroxyethyl)cyclohexylcarbamate

35. A915428

36. A1-01072

37. Butyl [trans-4-(2-hydroxyethyl)cyclohexyl]carbamate

38. F2147-8811

39. Tert-butyl ((1r,4r)-4-(2-hydroxyethyl)cyclohexyl)carbamate

40. Tert-butyl N-[(1r,4r)-4-(2-hydroxyethyl)cyclohexyl]carbamate

41. 1,1-dimethylethyl N-[trans-4-(2-hydroxyethyl)cyclohexyl]carbamate

42. [trans-4-(2-hydroxy-ethyl)-cyclohexyl]-carbamic Acid Tert-butyl Ester

2.3 Create Date

2008-02-29

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₂₅NO₃
Molecular Weight	243.34 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	243.18344366 g/mol
Monoisotopic Mass	243.18344366 g/mol
Topological Polar Surface Area	58.6 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	240
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