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ACTIVE PHARMA INGREDIENTS

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Synopsis

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Chemistry

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Also known as: 1477-68-5, 4-(2-aminoethyl)-2-methoxyphenol hydrochloride, 3-methoxytyramine hydrochloride, 4-hydroxy-3-methoxyphenethylamine hydrochloride, 3-methoxytyramine hcl, 3-methoxy-4-hydroxyphenethylamine hydrochloride

Molecular Formula

C₉H₁₄ClNO₂

Molecular Weight

203.66 g/mol

InChI Key

AWRIOTVUTPLWLF-UHFFFAOYSA-N

FDA UNII

95HIL684P5

1 2D Structure

1477-68-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(2-aminoethyl)-2-methoxyphenol;hydrochloride

2.1.2 InChI

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

2.1.3 InChI Key

AWRIOTVUTPLWLF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=C(C=CC(=C1)CCN)O.Cl

2.2 Other Identifiers

2.2.1 UNII

95HIL684P5

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 3-methoxytyramine

2. 3-methoxytyramine Hydrochloride

3. 3-o-methyldopamine

4. Methoxytyramine

2.3.2 Depositor-Supplied Synonyms

1. 1477-68-5

2. 4-(2-aminoethyl)-2-methoxyphenol Hydrochloride

3. 3-methoxytyramine Hydrochloride

4. 4-hydroxy-3-methoxyphenethylamine Hydrochloride

5. 3-methoxytyramine Hcl

6. 3-methoxy-4-hydroxyphenethylamine Hydrochloride

7. 3-methoxytyramine, Hcl

8. 4-(2-aminoethyl)-2-methoxyphenol;hydrochloride

9. Mfcd00012902

10. 3-mt

11. 3-methoxytyramine (hydrochloride)

12. 95hil684p5

13. 3-methoxy-p-tyramine Hydrochloride

14. Phenol, 4-(2-aminoethyl)-2-methoxy-, Hydrochloride

15. Nsc-172190

16. 3-mt . Hcl;3-o-methyldopamine . Hcl

17. Phenol, 4-(2-aminoethyl)-2-methoxy-, Hydrochloride (1:1)

18. 3-o-methyldopamine Hydrochloride 100 Microg/ml In Acetonitrile:methanol

19. Unii-95hil684p5

20. 5-(2-aminoethyl)guaiacol Hcl

21. Einecs 216-035-1

22. 2-(4-hydroxy-3-methoxyphenyl)-ethylamine Hydrochloride

23. 5-(2-aminoethyl)guaiacol Hydrochloride

24. 3-methoxy-4-hydroxyphenylethylamine Hydrochloride

25. Mls002153361

26. Homovanillylamine Hydrochloride

27. Schembl347598

28. 3-methoxy-4-hydroxy-phenythylamine Hydrochloride

29. 3-methoxytyramine, Hydrochloride

30. Chembl1448326

31. 3-o-methyl Dopamine Hydrochloride

32. Amy4299

33. Dtxsid40163784

34. 3-o-methyl Dopamine Hydrochloride)

35. 3-o-methyldopamine Hydrochloride Pa

36. Nsc172190

37. S3370

38. 2-methoxytyramine Hydrochloride

39. 3-methoxytyramine Hydrochloride, 96%

40. 4-hydroxy-3-methoxyphenethylamine Hcl

41. Akos015848662

42. Cs-8045

43. Cs-w008266

44. Ds-6547

45. Nsc 172190

46. 4-(2-aminoethyl)-2-methoxyphenol Hcl

47. Ncgc00094131-01

48. Smr001230761

49. Sy062385

50. Ds-001105

51. Hy-103638

52. Dopamine Related Compound B [usp-rs]

53. Eu-0100796

54. Ft-0633584

55. Ft-0671206

56. En300-77642

57. A16917

58. M 4251

59. M-3581

60. 4-(2-amino-ethyl)-2-methoxyphenol Hydrochloride

61. 4-hydroxy-3-methoxyphenylethylamine Hydrochloride

62. 3-methoxy-4-hydroxy-phenylethylamine Hydrochloride

63. 3-methoxytyramine Hydrochloride, >=99.0% (at)

64. 4-(2-amino-ethyl)-2-methoxy Phenol Hydrochloride

65. 4-(2-amino-ethyl)-2-methoxy-phenol Hydrochloride

66. Sr-01000075367

67. 3-methoxytyramine Hydrochloride, Analytical Standard

68. Guaiacol, 4-(2-aminoethyl)-, Hydrochloride

69. J-516087

70. Sr-01000075367-1

71. 2-(4-hydroxy-3-methoxyphenyl)ethylamine Hydrochloride

72. Q27271794

73. 2-(4-hydroxy-3-methoxy-phenyl)-ethylamine Hydrochloride

74. 3-methoxytyramine Hydrochloride, >=95.5%, Crystalline

75. Z1268152336

76. 4-hydroxy-3-methoxy-.beta.-phenethylamine Hydrochloride

77. 3-methoxytyramine Hydrochloride, 1.0 Mg/ml In Methanol (as Free Base), Certified Reference Material

2.4 Create Date

2006-12-01

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₄ClNO₂
Molecular Weight	203.66 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	203.0713064 g/mol
Monoisotopic Mass	203.0713064 g/mol
Topological Polar Surface Area	55.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	130
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	2

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ACTIVE PHARMA INGREDIENTS

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