CAS 7149-10-2

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Also known as: 7149-10-2, 4-(aminomethyl)-2-methoxyphenol hydrochloride, Vanillylamine hydrochloride, N-vanillylamine hydrochloride, 4-aminomethyl-2-methoxyphenol hydrochloride, 4-(aminomethyl)-2-methoxyphenol;hydrochloride

Molecular Formula

C₈H₁₂ClNO₂

Molecular Weight

189.64 g/mol

InChI Key

PUDMGOSXPCMUJZ-UHFFFAOYSA-N

FDA UNII

YD97FX0LRF

1 2D Structure

CAS 7149-10-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(aminomethyl)-2-methoxyphenol;hydrochloride

2.1.2 InChI

InChI=1S/C8H11NO2.ClH/c1-11-8-4-6(5-9)2-3-7(8)10;/h2-4,10H,5,9H2,1H3;1H

2.1.3 InChI Key

PUDMGOSXPCMUJZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

YD97FX0LRF

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Vanillylamine

2. Vanillylamine Hydrochloride

2.3.2 Depositor-Supplied Synonyms

1. 7149-10-2

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

3. Vanillylamine Hydrochloride

4. N-vanillylamine Hydrochloride

5. 4-aminomethyl-2-methoxyphenol Hydrochloride

6. 4-(aminomethyl)-2-methoxyphenol;hydrochloride

7. Mfcd00012864

8. Yd97fx0lrf

9. 4-hydroxy-3-methoxybenzylamine Hcl

10. Phenol, 4-(aminomethyl)-2-methoxy-, Hydrochloride

11. Nsc-62020

12. 4-(aminomethyl)-2-methoxyphenol Hydrochloride (vanillylamine Hydrochloride)

13. Vanillylamine Hcl

14. Vanillyl Amine Hcl

15. Unii-yd97fx0lrf

16. Schembl1143187

17. Dtxsid70221705

18. 4-aminomethyl-2-methoxyphenol Hcl

19. 4-hydroxy-3-methoxybenzylamine-hcl

20. Act02775

21. Bcp27352

22. Nsc62020

23. Einecs 230-468-3

24. Nsc 62020

25. Akos004907172

26. Ac-4782

27. Cs-w015927

28. Ds-1112

29. Ps-8404

30. Sy018614

31. Db-011662

32. 3-methoxy-4-hydroxybenzylamine Hydrochloride

33. 4-(aminomethyl)-2-methoxyphenolhydrochloride

34. 4-hydroxyl-3-methoxybenzylamine Hydrochloride

35. Am20061145

36. Ft-0617579

37. 4-hydroxy-3-methoxybenzyl-amine Hydrochloride

38. En300-36042

39. (4-hydroxy-3-methoxyphenyl)methylazanium;chloride

40. 149h102

41. 4-hydroxy-3-methoxybenzylamine Hydrochloride, 98%

42. A929668

43. J-802307

44. W-104522

45. 4-(aminomethyl)-2-methoxyphenol Hydrochloride (1:1)

46. Z381785798

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₂ClNO₂
Molecular Weight	189.64 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	189.0556563 g/mol
Monoisotopic Mass	189.0556563 g/mol
Topological Polar Surface Area	55.5 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	2

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