CAS-620-40-6

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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

CAS 620-40-6

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 Formula	C₂₁H₂₁N
Molecular Weight	287.4 g/mol
XLogP3	4.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Exact Mass	287.167399674 g/mol
Monoisotopic Mass	287.167399674 g/mol
Topological Polar Surface Area	3.2 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	235
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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