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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

CAS 18084-64-5
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

BUILDING BLOCK

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1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecan...

CAS Number : 18084-64-5

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About the Company : Anvitha Life Care Private Limited, founded in 2016 by Dr. T. Prakasam and a team of experienced scientists and technocrats with over 80 years of combined expertise, is located on a 17,6...

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1,4,7,10-tetraazacyclododecane

CAS Number : 18084-64-5

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About the Company : MENADIONA is an independent privately-owned company, founded in 1970. Ever since, the company has been involved in manufacturing active ingredients (APIs) and key intermediates for the ...

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Reliable Spanish CDMO Delivering High-Quality APIs and Intermediates with Excellence, Flexibility, and Regulatory Compliance.

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Qingmu Pharma: Patients first, FDA/CEP/US-DMF/US-VMF/ASMF APIs for Humans & Vets in 100+ countries.

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