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Also known as: 586-70-9, 1-(4-methylphenyl)ethanamine, 1-p-tolylethanamine, 1-(p-tolyl)ethylamine, 4-(1-aminoethyl)toluene, Mfcd02177111
Molecular Formula
C9H13N
Molecular Weight
135.21  g/mol
InChI Key
UZDDXUMOXKDXNE-UHFFFAOYSA-N

CAS 586-70-9
1 2D Structure

CAS 586-70-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(4-methylphenyl)ethanamine
2.1.2 InChI
InChI=1S/C9H13N/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8H,10H2,1-2H3
2.1.3 InChI Key
UZDDXUMOXKDXNE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=CC=C(C=C1)C(C)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 586-70-9

2. 1-(4-methylphenyl)ethanamine

3. 1-p-tolylethanamine

4. 1-(p-tolyl)ethylamine

5. 4-(1-aminoethyl)toluene

6. Mfcd02177111

7. (r)-1-p-tolylethanamine

8. 1-(4-methylphenyl)ethanamine #

9. 1-p-tolyl-ethylamine

10. 4-methyl-1-phenylethylamine

11. Schembl248672

12. Uzddxumoxkdxne-uhfffaoysa-

13. Alpha,4-dimethylbenzenemethanamine

14. Dtxsid501028260

15. Albb-001514

16. Stk397312

17. 1-(4-methylphenyl)ethylamine, 96%

18. Akos000123390

19. Akos016051771

20. Sb75387

21. Benzenemethanamine, .alpha.,4-dimethyl-

22. As-31722

23. Sy002631

24. 1-(4-methylphenyl)ethylamine 96

25. Bb 0241909

26. Cs-0145974

27. Ft-0605117

28. Ft-0605288

29. Ft-0649135

30. T2505

31. En300-34032

32. A18761

33. A18942

34. W-203205

35. 4,4,5,5,6,6,7,7-octafluoro-3-oxoheptanoicacidmethylester

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 135.21 g/mol
Molecular Formula C9H13N
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass135.104799419 g/mol
Monoisotopic Mass135.104799419 g/mol
Topological Polar Surface Area26 Ų
Heavy Atom Count10
Formal Charge0
Complexity92.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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