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2D Structure
Also known as: 620-40-6, Benzenemethanamine, n,n-bis(phenylmethyl)-, N,n-dibenzyl-1-phenylmethanamine, N,n,n-tribenzylamine, Mfcd00004773, N,n-bis(phenylmethyl)benzenemethanamine
Molecular Formula
C21H21N
Molecular Weight
287.4  g/mol
InChI Key
MXHTZQSKTCCMFG-UHFFFAOYSA-N
FDA UNII
HZ10O1931J

tribenzylamine is a natural product found in Humulus lupulus with data available.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N,N-dibenzyl-1-phenylmethanamine
2.1.2 InChI
InChI=1S/C21H21N/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2
2.1.3 InChI Key
MXHTZQSKTCCMFG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)CC3=CC=CC=C3
2.2 Other Identifiers
2.2.1 UNII
HZ10O1931J
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 620-40-6

2. Benzenemethanamine, N,n-bis(phenylmethyl)-

3. N,n-dibenzyl-1-phenylmethanamine

4. N,n,n-tribenzylamine

5. Mfcd00004773

6. N,n-bis(phenylmethyl)benzenemethanamine

7. (n,n-dibenzylaminomethyl)benzene

8. Hz10o1931j

9. Tribenzyl-amine

10. Unii-hz10o1931j

11. N,n-dibenzyl-1-phenyl-methanamine

12. Einecs 210-638-3

13. Ai3-01809

14. Tribenzylamine, >=99%

15. Dsstox_cid_27031

16. Dsstox_rid_82052

17. Dsstox_gsid_47031

18. Schembl134524

19. N,n-dibenzyl(phenyl)methanamine

20. Chembl3184803

21. Dtxsid5047031

22. N,n-dibenzyl(phenyl)methanamine #

23. Adal1038599

24. Tribenzylamine, >=99.0% (nt)

25. Tox21_302339

26. Stl453637

27. Zinc55387822

28. Akos003273171

29. Ncgc00256253-01

30. As-11949

31. Cas-620-40-6

32. Sy049334

33. Ft-0652634

34. T0341

35. Q4462936

36. F0001-1653

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 287.4 g/mol
Molecular Formula C21H21N
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Exact Mass287.167399674 g/mol
Monoisotopic Mass287.167399674 g/mol
Topological Polar Surface Area3.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity235
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1