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2D Structure
Also known as: 104-84-7, Benzenemethanamine, 4-methyl-, (4-methylphenyl)methanamine, P-methylbenzylamine, P-tolylmethanamine, 1-(4-methylphenyl)methanamine
Molecular Formula
C8H11N
Molecular Weight
121.18  g/mol
InChI Key
HMTSWYPNXFHGEP-UHFFFAOYSA-N
FDA UNII
F9B6VRU8WP

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(4-methylphenyl)methanamine
2.1.2 InChI
InChI=1S/C8H11N/c1-7-2-4-8(6-9)5-3-7/h2-5H,6,9H2,1H3
2.1.3 InChI Key
HMTSWYPNXFHGEP-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=CC=C(C=C1)CN
2.2 Other Identifiers
2.2.1 UNII
F9B6VRU8WP
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 4-methylbenzylamine Hydrochloride

2.3.2 Depositor-Supplied Synonyms

1. 104-84-7

2. Benzenemethanamine, 4-methyl-

3. (4-methylphenyl)methanamine

4. P-methylbenzylamine

5. P-tolylmethanamine

6. 1-(4-methylphenyl)methanamine

7. Benzylamine, P-methyl-

8. 4-methyl Benzylamine

9. 4-methyl-benzylamine

10. Chembl273483

11. Nsc-66562

12. P-xylylamine

13. Alpha-amino-p-xylene

14. 4-methylbenzenemethanamine

15. 4methylbenzylamine

16. Einecs 203-243-2

17. P-methyl Benzylamine

18. P-methyl-benzylamine

19. 4-methylbenzyl Amine

20. Mfcd00008123

21. Nsc 66562

22. Para-methylbenzylamine

23. P-methyl Benzyl Amine

24. 4-methyl-benzyl Amine

25. P-methylbenzenemethanamine

26. F9b6vru8wp

27. 4-methylbenzylamine, 97%

28. Schembl11699

29. [(4-methylphenyl)methyl]amine

30. (4-methylphenyl)methanamine #

31. Dtxsid2059306

32. Nsc66562

33. Str00200

34. Am9932

35. Bdbm50408785

36. Stl299663

37. Akos000120767

38. Cs-w022218

39. Ps-3250

40. Ac-17022

41. Db-000240

42. M0864

43. Ns00023327

44. 4-methylbenzylamine, Purum, >=97.0% (gc)

45. En300-16222

46. D77926

47. W-108805

48. Q27449791

49. F0798-0692

50. Inchi=1/c8h11n/c1-7-2-4-8(6-9)5-3-7/h2-5h,6,9h2,1h

51. 02n

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 121.18 g/mol
Molecular Formula C8H11N
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area26
Heavy Atom Count9
Formal Charge0
Complexity72.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1