CAS 131801-69-9

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8 Suppliers, 8 End Use APIs, 22 Related Intermediates

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8 End Use APIs
22 Related Intermediates

Chemistry

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Also known as: 93413-76-4, 131801-69-9, 1-[cyano-(p-methoxyphenyl)methyl]cyclohexanol, 1-(hydroxycyclohexyl)-(4-methoxyphenyl)acetonitrile, 1-[cyano(4-methoxyphenyl)methyl]cyclohexanol, (1-hydroxycyclohexyl)(4-methoxyphenyl)acetonitrile

Molecular Formula

C₁₅H₁₉NO₂

Molecular Weight

245.32 g/mol

InChI Key

ASYJSBPNAIDUHX-UHFFFAOYSA-N

1 2D Structure

CAS 93413-76-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetonitrile

2.1.2 InChI

InChI=1S/C15H19NO2/c1-18-13-7-5-12(6-8-13)14(11-16)15(17)9-3-2-4-10-15/h5-8,14,17H,2-4,9-10H2,1H3

2.1.3 InChI Key

ASYJSBPNAIDUHX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC=C(C=C1)C(C#N)C2(CCCCC2)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 93413-76-4

2. 131801-69-9

3. 1-[cyano-(p-methoxyphenyl)methyl]cyclohexanol

4. 1-(hydroxycyclohexyl)-(4-methoxyphenyl)acetonitrile

5. 1-[cyano(4-methoxyphenyl)methyl]cyclohexanol

6. (1-hydroxycyclohexyl)(4-methoxyphenyl)acetonitrile

7. 1-[cyano-(4-methoxyphenyl)methyl]cyclohexanol

8. 1-hydroxycyclohexyl-(4-methoxyphenyl)acetonitrile

9. 1-hydroxycyclohexyl)-(4-methoxyphenyl)acetonitrile

10. 1-(cyano-(4-methoxyphenyl)methyl)cyclohexanol

11. Venlafaxine Cyano

12. 1-(hydrocyclohexyl)-(4-methoxyphenyl)acetonitrile

13. Schembl1671921

14. Intermediate Of Venlafaxine

15. Dtxsid101257342

16. Amy32702

17. Bcp08873

18. Venlafaxine Hydroxy Nitrile Impurity

19. Ac-572

20. Mfcd06658142

21. Akos015889694

22. As-37928

23. Db-017889

24. 1-[cyano(p-methoxyphenyl)methyl]cyclohexanol

25. 1[cyano-(4-methoxyphenvl)methyl]cyclohexanol

26. Cs-0186384

27. Ft-0642243

28. Ft-0665294

29. H1303

30. 1-[cyano(4-methoxy-phenyl)methyl]cyclohexanol

31. 1-[cyano(4-methoxyphenyl) Methyl]cyclohexanol

32. 1-[cyano(4-methoxyphenyl)-methyl]cyclohexanol

33. 1-[cyano(p-methoxy Phenyl)methyl]cyclohexanol

34. 1-[cyano(p-methoxyphenyl)methyl] Cyclohexanol

35. 1-[cyano-(4-methoxy Phenyl)methyl]cyclohexanol

36. 1-[cyano-(4-methoxyphenyl)methyl]-cyclohexanol

37. 801h699

38. J-006057

39. 1-hydroxycyclohexyl-4-methoxyphenylacetonitrile

40. Alpha(1-hydroxycyclohexyl)-p-methoxyphenylacetonitrile

41. (1-hydroxy-cyclohexyl)-(4-methoxy-phenyl)-acetonitrile

42. Alpha-(1-hydroxycyclohexyl)-4-methoxybenzeneacetonitrile

43. 1-(cyano-(4-methoxyphenyl)methyl)cyclohexanol; ?-(1-hydroxycyclohexyl)-4-methoxy-benzeneacetonitrile; ?-(p-methoxyphenyl)-?-(1-hydroxycyclohexyl)acetonitrile; (4-methoxyphenyl)-(1-hydroxycyclohex-1-yl)acetonitrile; 1-[cyano(4-methoxyphenyl)methyl]cyclohexanol; 1-[cyano(p-methoxyphenyl)methyl]cyclohexanol

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₉NO₂
Molecular Weight	245.32 g/mol
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	245.141578849 g/mol
Monoisotopic Mass	245.141578849 g/mol
Topological Polar Surface Area	53.2 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	306
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1