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Also known as: 3378-72-1, N-benzyl-2-methylpropan-2-amine, N-(tert-butyl)benzylamine, N-benzyl-tert-butylamine, N-tert-butylbenzylamine, Tert-butylbenzylamine
Molecular Formula
C11H17N
Molecular Weight
163.26  g/mol
InChI Key
DLSOILHAKCBARI-UHFFFAOYSA-N

CAS 3378-72-1
1 2D Structure

CAS 3378-72-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-benzyl-2-methylpropan-2-amine
2.1.2 InChI
InChI=1S/C11H17N/c1-11(2,3)12-9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3
2.1.3 InChI Key
DLSOILHAKCBARI-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)(C)NCC1=CC=CC=C1
2.2 Synonyms
2.2.1 MeSH Synonyms

1. N-(1,1-dimethylethyl)benzylamine

2. N-benzylidene-tert-butylamine

3. Nbtba Cpd

2.2.2 Depositor-Supplied Synonyms

1. 3378-72-1

2. N-benzyl-2-methylpropan-2-amine

3. N-(tert-butyl)benzylamine

4. N-benzyl-tert-butylamine

5. N-tert-butylbenzylamine

6. Tert-butylbenzylamine

7. N-t-butylbenzylamine

8. Benzyl(tert-butyl)amine

9. Benzyl-tert-butyl-amine

10. T-butylbenzylamine

11. N-(1,1-dimethylethyl)benzylamine

12. Einecs 222-179-6

13. Mfcd00008798

14. Benzyl-tert-butylamine

15. N-benzyl-t-butylamine

16. Tert-butyl-benzylamine

17. Ai3-23247

18. N-t-butyl-n-benzylamine

19. N-benzyl-n-tert-butylamine

20. N-benzyln-tert.-butylamine

21. N-tert-butyl-n-benzylamine

22. N-benzyl-n-tert.-butylamine

23. Schembl125129

24. Dtxsid2063002

25. Amy3946

26. Albb-025934

27. Str05000

28. Zinc2534748

29. N-benzyl-2-methyl-2-propanamine #

30. Akos000119241

31. Cs-w017915

32. Sb75737

33. N-(1,1-dimethylethyl)benzenemethanamine

34. Ac-23994

35. Ft-0657887

36. D78115

37. J-019322

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 163.26 g/mol
Molecular Formula C11H17N
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass163.136099547 g/mol
Monoisotopic Mass163.136099547 g/mol
Topological Polar Surface Area12 Ų
Heavy Atom Count12
Formal Charge0
Complexity118
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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