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2D Structure
Also known as: 7397-46-8, Methoxydiethylborane, Diethyl(methoxy)borane, Borinic acid, diethyl-, methyl ester, Butyl(methoxy)borane, Methyl diethylborinate
Molecular Formula
C5H13BO
Molecular Weight
99.97  g/mol
InChI Key
FESAXEDIWWXCNG-UHFFFAOYSA-N
FDA UNII
3AH40D7L25

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
diethyl(methoxy)borane
2.1.2 InChI
InChI=1S/C5H13BO/c1-4-6(5-2)7-3/h4-5H2,1-3H3
2.1.3 InChI Key
FESAXEDIWWXCNG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
B(CC)(CC)OC
2.2 Other Identifiers
2.2.1 UNII
3AH40D7L25
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 7397-46-8

2. Methoxydiethylborane

3. Diethyl(methoxy)borane

4. Borinic Acid, Diethyl-, Methyl Ester

5. Butyl(methoxy)borane

6. Methyl Diethylborinate

7. Borinic Acid, B,b-diethyl-, Methyl Ester

8. 3ah40d7l25

9. Methoxydiethylborane 50% In Tetrahydrofuran

10. Mfcd00013240

11. Diethyl Methoxyborane

12. Diethyl Methoxy Borane

13. Methoxy Diethyl Borane

14. Unii-3ah40d7l25

15. Diethyl-methoxyborane

16. Methoxy-diethylborane

17. Methoxydiethyl-borane

18. Diethyl-methoxy-borane

19. Methyl Diethylborinate #

20. Diethylmethoxyborane, 97%

21. Ec 425-380-9

22. Dtxsid501014679

23. Bcp24411

24. Methyl Esterb,b-diethyl-borinic Acid

25. Akos015915365

26. Zinc169743411

27. Db-055824

28. Ft-0624905

29. Diethylmethoxyborane Solution, 1.0 M In Thf

30. A837987

31. J-520310

32. Q27256969

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 99.97 g/mol
Molecular Formula C5H13BO
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass100.1059452 g/mol
Monoisotopic Mass100.1059452 g/mol
Topological Polar Surface Area9.2 Ų
Heavy Atom Count7
Formal Charge0
Complexity35.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1