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Chemistry

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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

Vanillylamine
1 2D Structure

Vanillylamine

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 Weight 189.64 g/mol
Molecular Formula C8H12ClNO2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass189.0556563 g/mol
Monoisotopic Mass189.0556563 g/mol
Topological Polar Surface Area55.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity119
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

API Reference Price

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20-Aug-2022
20-Aug-2022
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