CAS 104-84-7

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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

CAS 104-84-7

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 Formula	C₈H₁₁N
Molecular Weight	121.18 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	26
Heavy Atom Count	9
Formal Charge	0
Complexity	72.6
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

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