CT-001

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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

CT-001

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 Formula	C₉H₁₈BNO₃
Molecular Weight	199.06 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	199.1379736 g/mol
Monoisotopic Mass	199.1379736 g/mol
Topological Polar Surface Area	30.9 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	171
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1