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2D Structure
Also known as: 101-00-8, Triisopropanolamine cyclic borate, Triisopropanolamine borate, Borester 21, Boric acid, tris(1-amino-2-propyl) ester, Nsc15099
Molecular Formula
C9H18BNO3
Molecular Weight
199.06  g/mol
InChI Key
IWKGJTDSJPLUCE-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane
2.1.2 InChI
InChI=1S/C9H18BNO3/c1-7-4-11-5-8(2)13-10(12-7)14-9(3)6-11/h7-9H,4-6H2,1-3H3
2.1.3 InChI Key
IWKGJTDSJPLUCE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
B12OC(CN(CC(O1)C)CC(O2)C)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 101-00-8

2. Triisopropanolamine Cyclic Borate

3. Triisopropanolamine Borate

4. Borester 21

5. Boric Acid, Tris(1-amino-2-propyl) Ester

6. Nsc15099

7. Triisopropanolamine Cyclic Borate;borester 21; Nsc 15099

8. 2,8,9-trioxa-5-aza-1-borabicyclo(3.3.3)undecane, 3,7,10-trimethyl-

9. 2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane, 3,7,10-trimethyl-

10. Nsc 15099

11. Ai3-61110

12. 2-propanol, 1,1',1''-nitrilotri-, Cyclic Borate

13. Mfcd03791298

14. 2-propanol, 1,1',1''-nitrilotri-, Borate

15. Dtxsid50905879

16. 3,7,10-trimethyl-4,6,11-trioxa-1-aza-5-borabicyclo[3.3.3]undecane

17. Nsc-15099

18. Wln: Z1y1&oboy1z1&oy1z1

19. Akos006229267

20. 2-propanol, 1,1',1''-nitrilotri-, Cyclic Ester With Boric Acid (h3bo3) (1:1)

21. 2-propanol, 1,1',1''-nitrilotri-, Cyclic Ester With Boric Acid (h3bo3) (1:1) (van)

22. As-72042

23. Db-058548

24. Cs-0015223

25. Ft-0645346

26. T2943

27. 2-propanol,1',1''-nitrilotri-, Cyclic Borate

28. D92646

29. A897267

30. J-200318

31. 2,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane, 3,7,10-trimethyl-

32. 2-propanol,1',1''-nitrilotri-, Cyclic Ester With Boric Acid (h3bo3) (1:1)

33. 27664-53-5

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 199.06 g/mol
Molecular Formula C9H18BNO3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass199.1379736 g/mol
Monoisotopic Mass199.1379736 g/mol
Topological Polar Surface Area30.9 Ų
Heavy Atom Count14
Formal Charge0
Complexity171
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1