CAS 89878-14-8

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1 End Use APIs
10 Related Intermediates

Chemistry

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Also known as: 89878-14-8, 3-(diethylboryl)pyridine, Diethyl(3-pyridinyl)borane, Diethyl(pyridin-3-yl)borane, Pyridine, 3-(diethylboryl)-, 3-pyridyldiethylborane

Molecular Formula

C₉H₁₄BN

Molecular Weight

147.03 g/mol

InChI Key

OJKBCQOJVMAHDX-UHFFFAOYSA-N

FDA UNII

3BC5KW7BC5

1 2D Structure

CAS 89878-14-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

diethyl(pyridin-3-yl)borane

2.1.2 InChI

InChI=1S/C9H14BN/c1-3-10(4-2)9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3

2.1.3 InChI Key

OJKBCQOJVMAHDX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

B(CC)(CC)C1=CN=CC=C1

2.2 Other Identifiers

2.2.1 UNII

3BC5KW7BC5

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 89878-14-8

2. 3-(diethylboryl)pyridine

3. Diethyl(3-pyridinyl)borane

4. Diethyl(pyridin-3-yl)borane

5. Pyridine, 3-(diethylboryl)-

6. 3-pyridyldiethylborane

7. Diethyl-3-pyridylborane

8. Diethyl (3-pyridyl)borane

9. Diethyl-3-pyridylboran

10. 3-pyridyldiethyl Borane

11. Diethyl 3-pyridylborane

12. 3-pyridinyldiethylborane

13. Diethyl(3pyridyl)borane

14. (3-pyridyl)diethylborane

15. 3-diethylboranyl Pyridine

16. 3-diethylboranyl-pyridine

17. 3-pyridyl-diethyl Borane

18. Diethyl 3-pyridyl-borane

19. Diethyl-3-pyridyl-borane

20. 3-(diethylboryl)-pyridine

21. Diethyl-(3-pyridyl)borane

22. Diethyl (3-pyridyl) Borane

23. Diethyl-(3-pyridyl)-borane

24. 3-diethylboropyridine

25. 3bc5kw7bc5

26. Diethyl (pyridin-3-yl)borane

27. Schembl297677

28. Diethyl(3-pyridyl)borane, 97%

29. Dtxsid00349087

30. Bcp04285

31. Cs-b0611

32. Ex-a3796

33. Cx1283

34. Geo-02614

35. Mfcd00012348

36. Akos015842685

37. Zinc169744811

38. Ac-22583

39. Am807097

40. Ds-14716

41. Db-009679

42. D2661

43. Ft-0624865

44. A25204

45. 878d148

46. J-520309

2.4 Create Date

2005-09-18

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₄BN
Molecular Weight	147.03 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	147.1219296 g/mol
Monoisotopic Mass	147.1219296 g/mol
Topological Polar Surface Area	12.9 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	102
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