CAS 1836-62-0

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Chemistry

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Also known as: 1836-62-0, 2-(2-methoxyphenoxy)ethanamine, Ethanamine, 2-(2-methoxyphenoxy)-, 2-(2-methoxyphenoxy)ethyl amine, 1-(2-aminoethoxy)-2-methoxybenzene, Guaiacoxyethylamine

Molecular Formula

C₉H₁₃NO₂

Molecular Weight

167.20 g/mol

InChI Key

CKJRKLKVCHMWLV-UHFFFAOYSA-N

FDA UNII

20S0VX4QT9

1 2D Structure

CAS 1836-62-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(2-methoxyphenoxy)ethanamine

2.1.2 InChI

InChI=1S/C9H13NO2/c1-11-8-4-2-3-5-9(8)12-7-6-10/h2-5H,6-7,10H2,1H3

2.1.3 InChI Key

CKJRKLKVCHMWLV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC=CC=C1OCCN

2.2 Other Identifiers

2.2.1 UNII

20S0VX4QT9

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1836-62-0

2. 2-(2-methoxyphenoxy)ethanamine

3. Ethanamine, 2-(2-methoxyphenoxy)-

4. 2-(2-methoxyphenoxy)ethyl Amine

5. 1-(2-aminoethoxy)-2-methoxybenzene

6. Guaiacoxyethylamine

7. Carvedilol Related Compound E

8. 2-(2-methoxy-phenoxy)-ethylamine

9. 2-(o-methoxyphenoxy)ethylamine

10. 2-(2'-methoxy)phenoxyethylamine

11. 20s0vx4qt9

12. 2-(2-methoxy Phenoxy)ethylamine

13. 2-(2-methoxyphenoxy)ethan-1-amine

14. 2-(2-methoxy-phenoxy]-ethylamine

15. Mfcd00235185

16. Unii-20s0vx4qt9

17. Carvedilol Related Compound E [usp]

18. O-methoxy-phenoxyethylamine

19. Ec 606-000-2

20. 2-(methoxyphenoxyl)ethylamine

21. 2-(2-methoxyphenoxy)ethamine

22. Schembl401448

23. Schembl972570

24. 2-(0-methoxyphenoxy)ethylamine

25. 2-(2'-amino Ethoxyl) Anisole

26. 2-(2-methoxyphenoxyl)ethylamine

27. 2-(2-methoxyphenoxy)-ethylamine

28. 2-(2-methoxy-phenoxy)ethylamine

29. Dtxsid80171449

30. 2-(2-methoxy Phenoxy) Ethyl Amine

31. 2-(2-methoxy-phenoxy]-ethyl-amine

32. Act02882

33. Albb-008911

34. Zinc2025135

35. Bbl001425

36. Stk346811

37. [2-(2-methoxy-phenoxy)-ethyl]-amine

38. Akos000201021

39. Ac-5333

40. Cs-w002568

41. As-11835

42. 2-(methoxy Phenoxy)ethylamine Hydrochloride

43. Db-019403

44. Am20050320

45. Bb 0254697

46. Ft-0608489

47. Ft-0661781

48. M2004

49. Ec-000.1967

50. [2-(2-methoxyphenoxy)ethyl]amine Hydrochloride

51. Carvedilol Related Compound E [usp-rs]

52. 836m620

53. Carvedilol Related Compound E [usp Impurity]

54. Q27253487

55. Z56968779

2.4 Create Date

2005-07-12

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₃NO₂
Molecular Weight	167.20 g/mol
XLogP3	0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	167.094628657 g/mol
Monoisotopic Mass	167.094628657 g/mol
Topological Polar Surface Area	44.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	119
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