CAS 3378-72-1

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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

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 Formula	C₁₁H₁₇N
Molecular Weight	163.26 g/mol
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	163.136099547 g/mol
Monoisotopic Mass	163.136099547 g/mol
Topological Polar Surface Area	12 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	118
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