CAS 586-70-9

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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

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 Formula	C₉H₁₃N
Molecular Weight	135.21 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	135.104799419 g/mol
Monoisotopic Mass	135.104799419 g/mol
Topological Polar Surface Area	26 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	92.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1