2-Benzylaminopyridine

Synopsis, Chemistry

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Also known as: N-benzylpyridin-2-amine, 6935-27-9, 2-pyridinamine, n-(phenylmethyl)-, 2-(benzylamino)pyridine, Pyridine, 2-(benzylamino)-, N-(phenylmethyl)pyridin-2-amine

Molecular Formula

C₁₂H₁₂N₂

Molecular Weight

184.24 g/mol

InChI Key

WYHXNQXDQQMTQI-UHFFFAOYSA-N

FDA UNII

2M6W78559O

1 2D Structure

2-Benzylaminopyridine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-benzylpyridin-2-amine

2.1.2 InChI

InChI=1S/C12H12N2/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13-12/h1-9H,10H2,(H,13,14)

2.1.3 InChI Key

WYHXNQXDQQMTQI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)CNC2=CC=CC=N2

2.2 Other Identifiers

2.2.1 UNII

2M6W78559O

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. N-benzylpyridin-2-amine

2. 6935-27-9

3. 2-pyridinamine, N-(phenylmethyl)-

4. 2-(benzylamino)pyridine

5. Pyridine, 2-(benzylamino)-

6. N-(phenylmethyl)pyridin-2-amine

7. Chembl391815

8. Nsc-59833

9. 2m6w78559o

10. Unii-2m6w78559o

11. Einecs 230-060-5

12. Mfcd00006251

13. Nsc 59833

14. Enamine_005854

15. Ai3-19227

16. Cbmicro_010916

17. N-(2-pyridyl)benzylamine

18. 2-benzylaminopyridine, 98%

19. Divk1c_004532

20. N-benzyl-n-(2-pyridyl)amine

21. Schembl2230559

22. Dtxsid9064508

23. N-benzyl-n-(2-pyridinyl)amine

24. Wyhxnqxdqqmtqi-uhfffaoysa-

25. Hms1410k02

26. N-benzyl-n-(2-pyridinyl)amine #

27. Nsc59833

28. Str05313

29. Bdbm50534542

30. Stk144786

31. Zinc19117258

32. Akos000120341

33. Ac-5949

34. Sb52306

35. Cds1_003492

36. Idi1_008089

37. Db-027814

38. Ethyl2-cyano-3-(2-thienyl)acrylate

39. Ft-0611308

40. D86502

41. W-106237

42. W-203541

43. Q27254943

44. F2190-0410

45. 9vo

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₂N₂
Molecular Weight	184.24 g/mol
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	184.100048391 g/mol
Monoisotopic Mass	184.100048391 g/mol
Topological Polar Surface Area	24.9 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	152
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