4t-butylbenzylamine

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Also known as: 39895-55-1, (4-tert-butylphenyl)methanamine, 4-t-butylbenzylamine, (4-tert-butylbenzyl)amine, 1-(4-tert-butylphenyl)methanamine, 4-(t-butyl)benzylamine

Molecular Formula

C₁₁H₁₇N

Molecular Weight

163.26 g/mol

InChI Key

MPWSRGAWRAYBJK-UHFFFAOYSA-N

1 2D Structure

CAS 39895-55-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4-tert-butylphenyl)methanamine

2.1.2 InChI

InChI=1S/C11H17N/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,8,12H2,1-3H3

2.1.3 InChI Key

MPWSRGAWRAYBJK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C)C1=CC=C(C=C1)CN

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 39895-55-1

2. (4-tert-butylphenyl)methanamine

3. 4-t-butylbenzylamine

4. (4-tert-butylbenzyl)amine

5. 1-(4-tert-butylphenyl)methanamine

6. 4-(t-butyl)benzylamine

7. 4-tert-butyl-benzylamine

8. (4-(tert-butyl)phenyl)methanamine

9. 4t-butylbenzylamine

10. Einecs 254-681-6

11. P-t-butylbenzylamine

12. 4-tertbutylbenzylamine

13. 4-t-butylbenzyl Amine

14. 4-tert-butyl Benzylamine

15. 4-tert-butylbenzyl Amine

16. 4-tert.-butylbenzylamine

17. 4-(tert-butyl)benzylamine

18. 4-(tert-butyl)benzyl Amine

19. Schembl11653

20. 4-tert-butylbenzylamine, 97%

21. Chembl387214

22. (4-tert-butylphenyl)methylamine

23. Dtxsid60192930

24. Act01037

25. Albb-023581

26. Zinc2389991

27. Mfcd00040754

28. Akos000131017

29. Cs-w010843

30. Fs-1190

31. Sb76276

32. Db-049495

33. Am20040380

34. Ft-0639587

35. En300-35032

36. A19818

37. F14928

38. Ae-848/00890041

39. W-106399

40. 5-amino-2-methoxy-benzenemethanaminedihydrochloride

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₇N
Molecular Weight	163.26 g/mol
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	163.136099547 g/mol
Monoisotopic Mass	163.136099547 g/mol
Topological Polar Surface Area	26 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	126
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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