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CAS 18084-64-5
Also known as: 18084-64-5, 1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane, 1,4,7,10-tetrabenzylcyclen, Schembl2489199, Dtxsid30330261, 1,4,7,10-tetraazacyclododecane, 1,4,7,10-tetrakis(phenylmethyl)-
Molecular Formula
C36H44N4
Molecular Weight
532.8  g/mol
InChI Key
VXOJKUWHCFFUCO-UHFFFAOYSA-N

1 2D Structure

CAS 18084-64-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
2.1.2 InChI
InChI=1S/C36H44N4/c1-5-13-33(14-6-1)29-37-21-23-38(30-34-15-7-2-8-16-34)25-27-40(32-36-19-11-4-12-20-36)28-26-39(24-22-37)31-35-17-9-3-10-18-35/h1-20H,21-32H2
2.1.3 InChI Key
VXOJKUWHCFFUCO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CN(CCN(CCN(CCN1CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 18084-64-5

2. 1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane

3. 1,4,7,10-tetrabenzylcyclen

4. Schembl2489199

5. Dtxsid30330261

6. 1,4,7,10-tetraazacyclododecane, 1,4,7,10-tetrakis(phenylmethyl)-

7. Mfcd05864401

8. Zinc22799842

9. Akos015907696

10. As-71723

11. Db-027329

12. Cs-0085870

13. Ft-0658181

14. T3356

15. T71960

16. 084t645

17. A812564

18. J-503962

19. 1,4,7,10-tetrakisbenzyl-1,4,7,10-tetraazacyclododecane

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 532.8 g/mol
Molecular Formula C36H44N4
XLogP36.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass532.35659742 g/mol
Monoisotopic Mass532.35659742 g/mol
Topological Polar Surface Area13 Ų
Heavy Atom Count40
Formal Charge0
Complexity517
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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Established in 2016, a state-of-the-art R&D facility engaged in the development of Novel processes for Bu...
Established in 2016, a state-of-the-art R&D facility engaged in the development of Novel processes for Bulk Actives including Deuterated Actives, Advanced Intermediates and up the value chain. With experience, Anvitha Life Care Private Limited has knowledge and expertise as a leader in chemical research. Every decision is inspired by our main mission, which is to provide the highest standard of product and services to our clients. In this rapidly changing industry, we’ve realized the importance of continually updating our approach to stay relevant in the market, and are committed to just that.
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Established in 2016, a state-of-the-art R&D facility engaged in the development of Novel processes for Bu...
Established in 2016, a state-of-the-art R&D facility engaged in the development of Novel processes for Bulk Actives including Deuterated Actives, Advanced Intermediates and up the value chain. With experience, Anvitha Life Care Private Limited has knowledge and expertise as a leader in chemical research. Every decision is inspired by our main mission, which is to provide the highest standard of product and services to our clients. In this rapidly changing industry, we’ve realized the importance of continually updating our approach to stay relevant in the market, and are committed to just that.
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