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ACTIVE PHARMA INGREDIENTS

2 API Suppliers, 2 USDMF, $ API Reference Price

2 API Suppliers
2 USDMF
$ API Reference Price

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Chemistry

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Also known as: 84110-40-7, Isobutaneboronic acid, 2-methylpropylboronic acid, (2-methylpropyl)boronic acid, 1-isobutaneboronic acid, Isobutylboric acid

Molecular Formula

C₄H₁₁BO₂

Molecular Weight

101.94 g/mol

InChI Key

ZAZPDOYUCVFPOI-UHFFFAOYSA-N

FDA UNII

KHX76H7JHZ

1 2D Structure

Isobutaneboronic Acid

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-methylpropylboronic acid

2.1.2 InChI

InChI=1S/C4H11BO2/c1-4(2)3-5(6)7/h4,6-7H,3H2,1-2H3

2.1.3 InChI Key

ZAZPDOYUCVFPOI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

B(CC(C)C)(O)O

2.2 Other Identifiers

2.2.1 UNII

KHX76H7JHZ

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 84110-40-7

2. Isobutaneboronic Acid

3. 2-methylpropylboronic Acid

4. (2-methylpropyl)boronic Acid

5. 1-isobutaneboronic Acid

6. Isobutylboric Acid

7. Boronic Acid, B-(2-methylpropyl)-

8. Boronic Acid, (2-methylpropyl)-

9. Mfcd00134156

10. Khx76h7jhz

11. 2-methylpropaneboronic Acid

12. 2-methylpropane Boronic Acid

13. B-(2-methylpropyl)boronic Acid

14. (2-methylpropyl)boronicacid

15. 2-methylprop-1-ylboronic Acid

16. Isobutylboronicacid

17. Isobutyl Boronic Acid

18. 2-methylpropylboroic Acid

19. I-bub(oh)2

20. Unii-khx76h7jhz

21. 2-methylpropyl Boronic Acid

22. 2-methyl Propyl Boroic Acid

23. Schembl125840

24. 2-methyl-1-propylboronic Acid

25. 2-methyl-1-propaneboronic Acid

26. Dtxsid70370282

27. Act11280

28. Bcp12813

29. Akos000264708

30. Zinc169743280

31. Ab03722

32. Am80872

33. As-3103

34. Cs-w000978

35. Ac-24794

36. Sy002441

37. (2-methylpropyl)boronic Acid, >=95.0%

38. Db-010478

39. Ft-0648068

40. I0597

41. En300-74361

42. Q-101087

43. F0001-2138

44. Z1741970613

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₄H₁₁BO₂
Molecular Weight	101.94 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	102.0852098 g/mol
Monoisotopic Mass	102.0852098 g/mol
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	45
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