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Overview of CAS 39895-55-1

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4t-butylbenzylamine
PharmaCompass
  • Chemistry
4t-butylbenzylamine
Also known as: 39895-55-1, (4-tert-butylphenyl)methanamine, 4-t-butylbenzylamine, 1-(4-tert-butylphenyl)methanamine, 4-tert-butyl-benzylamine, (4-(tert-butyl)phenyl)methanamine
Molecular Formula
C11H17N
Molecular Weight
163.264  g/mol
InChI Key
MPWSRGAWRAYBJK-UHFFFAOYSA-N

1 2D Structure

4t-butylbenzylamine

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. 1-(4-tert-butylphenyl)methanamine

5. 4-tert-butyl-benzylamine

6. (4-(tert-butyl)phenyl)methanamine

7. Sbb017954

8. [4-(tert-butyl)phenyl]methylamine

9. 4t-butylbenzylamine

10. Einecs 254-681-6

11. P-t-butylbenzylamine

12. 4-tertbutylbenzylamine

13. Pubchem4711

14. 4-t-butylbenzyl Amine

15. Asn 16289515

16. 4-(t-butyl)benzylamine

17. 4-tert-butyl Benzylamine

18. 4-tert-butylbenzyl Amine

19. 4-tert.-butylbenzylamine

20. (4-tert-butylbenzyl)amine

21. 4-(tert-butyl)benzylamine

22. Acmc-209j8t

23. Ac1mc3t4

24. Ac1q1m6g

25. 4-(tert-butyl)benzyl Amine

26. Schembl11653

27. 4-tert-butylbenzylamine, 97%

28. Chembl387214

29. (4-tert-butylphenyl)methylamine

30. Ctk4i2065

31. Ks-00000vhb

32. Dtxsid60192930

33. Molport-000-136-705

34. Mpwsrgawraybjk-uhfffaoysa-n

35. Act01037

36. Albb-023581

37. Zinc2389991

38. Anw-29211

39. Mfcd00040754

40. Akos000131017

41. Fs-1190

42. Mcule-4394932828

43. Tra0029034

44. Vz29730

45. Aj-35638

46. Ak-47479

47. Br-47479

48. Kb-40457

49. S717

50. Sc-62275

51. Ab0018740

52. Benzenemethanamine,4-(1,1-dimethylethyl)-

53. Db-049495

54. Kb-118914

55. Tr-015918

56. Am20040380

57. Benzenemethanamine, 4-(1,1-dimethylethyl)-

58. Bg01501407

59. Ft-0639587

60. St24032835

61. St45026801

62. En300-35032

63. A19818

64. M-4700

65. Ae-848/00890041

66. I01-2036

67. W-106399

2.3 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 163.264 g/mol
Molecular Formula C11H17N
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass163.136 g/mol
Monoisotopic Mass163.136 g/mol
Topological Polar Surface Area26 A^2
Heavy Atom Count12
Formal Charge0
Complexity126
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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