CAS 130198-05-9

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5 Suppliers, 5 End Use APIs, 19 Related Intermediates

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5 End Use APIs
19 Related Intermediates

Chemistry

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Also known as: 130198-05-9, 1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexanol hydrochloride, 149289-31-6, 1-(4-methoxyphenyl)-2-aminoethyl cyclohexanol hydrochloride, 1-[2-amino-1-(4-methoxyphenyl)-ethyl]-cyclohexanol hydrochloride, N,n-didesmethylvenlafaxine hydrochloride

Molecular Formula

C₁₅H₂₄ClNO₂

Molecular Weight

285.81 g/mol

InChI Key

NTKXIDDUCSFBBF-UHFFFAOYSA-N

FDA UNII

O00PWS7DPA

1 2D Structure

CAS 130198-05-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;hydrochloride

2.1.2 InChI

InChI=1S/C15H23NO2.ClH/c1-18-13-7-5-12(6-8-13)14(11-16)15(17)9-3-2-4-10-15;/h5-8,14,17H,2-4,9-11,16H2,1H3;1H

2.1.3 InChI Key

NTKXIDDUCSFBBF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC=C(C=C1)C(CN)C2(CCCCC2)O.Cl

2.2 Other Identifiers

2.2.1 UNII

O00PWS7DPA

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 130198-05-9

2. 1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexanol Hydrochloride

3. 149289-31-6

4. 1-(4-methoxyphenyl)-2-aminoethyl Cyclohexanol Hydrochloride

5. 1-[2-amino-1-(4-methoxyphenyl)-ethyl]-cyclohexanol Hydrochloride

6. N,n-didesmethylvenlafaxine Hydrochloride

7. 2-(4-methoxyphenyl)-2-(1-hydroxycyclohexyl)ethylamine Hydrochloride

8. O00pws7dpa

9. 1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;hydrochloride

10. N,n-didesmethylvenlafaxine Hydrochloride, (+/-)-

11. 1-(4-methoxyphenyl)-2-aminoethyl Cyclohexanol Hcl

12. Mfcd06658143

13. 1-(2-amino-1-(p-methoxyphenyl)ethyl)cyclohexanol Hydrochloride

14. Cyclohexanol, 1-[2-amino-1-(4-methoxyphenyl)ethyl]-, Hydrochloride

15. Cyclohexanol, 1-(2-amino-1-(4-methoxyphenyl)ethyl)-, Hydrochloride (1:1)

16. Cyclohexanol, 1-[2-amino-1-(4-methoxyphenyl)ethyl]-, Hydrochloride (1:1)

17. 1-(2-amino-1-(4-methoxyphenyl)ethyl) Cyclohexanol Hcl

18. 1-[2-amino-1-(4-methoxy Phenyl)ethyl]cyclohexanol Hydrochloride

19. 1-[(1rs)-2-amino-1-(4-methoxyphenyl)ethyl]cyclohexanol Hydrochloride

20. Unii-o00pws7dpa

21. 1-(2-amino-1-(4-methoxyphenyl)ethyl)cyclohexanol Hcl

22. 1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexanol Hcl

23. 1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol Hydrochloride

24. Ec 603-392-7

25. Venlafaxine Impurity C Hcl

26. 1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexanol.hcl

27. Schembl3325847

28. 1-[2-amino-1-(4-methyoxyphenyl)ethyl]cyclohexanol.hcl

29. Dtxsid70893729

30. Bcp09340

31. Akos015888208

32. Ac-7776

33. Sb82214

34. As-11903

35. Sy037120

36. Db-019460

37. Db-042986

38. Am20020381

39. Cs-0150413

40. Ft-0643123

41. Ft-0643435

42. 198m059

43. A806037

44. Q-100118

45. Q27285135

46. 1-[2-amino-1-(4-methyoxyphenyl)ethyl]cyclohexanol Hcl

47. 1-[2-amino-1-(4-methoxyphenyl)-ethyl]cyclohexanol Hydrochloride

48. 1-[2-amino-1-(4-methoxyphenyl)ethyl]-cyclohexanol Hydrochloride

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₂₄ClNO₂
Molecular Weight	285.81 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	285.1495567 g/mol
Monoisotopic Mass	285.1495567 g/mol
Topological Polar Surface Area	55.5 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	243
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	2