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2D Structure
Also known as: 223433-45-2, (2-(morpholinomethyl)phenyl)boronic acid, 2-(morpholin-4-ylmethyl)benzeneboronic acid, [2-(morpholin-4-ylmethyl)phenyl]boronic acid, [2-(morpholinomethyl)phenyl]boronic acid, Psp001
Molecular Formula
C11H16BNO3
Molecular Weight
221.06  g/mol
InChI Key
DFBBOZSTIQMBLF-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[2-(morpholin-4-ylmethyl)phenyl]boronic acid
2.1.2 InChI
InChI=1S/C11H16BNO3/c14-12(15)11-4-2-1-3-10(11)9-13-5-7-16-8-6-13/h1-4,14-15H,5-9H2
2.1.3 InChI Key
DFBBOZSTIQMBLF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
B(C1=CC=CC=C1CN2CCOCC2)(O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 223433-45-2

2. (2-(morpholinomethyl)phenyl)boronic Acid

3. 2-(morpholin-4-ylmethyl)benzeneboronic Acid

4. [2-(morpholin-4-ylmethyl)phenyl]boronic Acid

5. [2-(morpholinomethyl)phenyl]boronic Acid

6. Psp001

7. 2-(n-morpholinomethyl)phenylboronic Acid

8. Penn Chem-gam_001

9. Schembl2465626

10. Dtxsid50471367

11. Mfcd01319041

12. Akos004113879

13. Zinc169747948

14. Ab08865

15. Am86775

16. Ps-9637

17. (2-(morpholinomethyl)phenyl)boronicacid

18. Ncgc00249535-01

19. Cs-0156644

20. Ft-0735417

21. 2-[(morpholin-4-yl)methyl]benzeneboronic Acid

22. F10124

23. F30132

24. (2-((morpholine-4-yl)methyl)phenyl)boronic Acid

25. {2-[(morpholin-4-yl)methyl]phenyl}boronic Acid

26. 433m452

27. A878596

28. 2-(4-morpholinylmethyl)phenylboronic Acid, Aldrichcpr

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 221.06 g/mol
Molecular Formula C11H16BNO3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass221.1223235 g/mol
Monoisotopic Mass221.1223235 g/mol
Topological Polar Surface Area52.9 Ų
Heavy Atom Count16
Formal Charge0
Complexity209
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1