Cas no 96563-15-4 (1,7-Dioxa-4,10-diazacyclododecane, 4-[(4-methylphenyl)sulfonyl]-)
![1,7-Dioxa-4,10-diazacyclododecane, 4-[(4-methylphenyl)sulfonyl]- structure](https://ossimg.kuujia.com/scimg/97000/96563-15-4x500.png)
96563-15-4 structure
Product Name:1,7-Dioxa-4,10-diazacyclododecane, 4-[(4-methylphenyl)sulfonyl]-
CAS No:96563-15-4
MF:C15H24N2O4S
MW:328.427062988281
CID:751389
PubChem ID:6424744
Update Time:2025-04-19
1,7-Dioxa-4,10-diazacyclododecane, 4-[(4-methylphenyl)sulfonyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1,7-Dioxa-4,10-diazacyclododecane, 4-[(4-methylphenyl)sulfonyl]-
- 4-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
- 96563-15-4
- 4-(Toluene-4-sulfonyl)-1,7-dioxa-4,10-diaza-cyclododecane
- DTXSID70423722
- SQOKGXKDOQLSGB-UHFFFAOYSA-N
-
- Inchi： 1S/C15H24N2O4S/c1-14-2-4-15(5-3-14)22(18,19)17-8-12-20-10-6-16-7-11-21-13-9-17/h2-5,16H,6-13H2,1H3
- InChI Key： SQOKGXKDOQLSGB-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(N1CCOCCNCCOCC1)(=O)=O
Computed Properties
- Exact Mass: 328.14567842g/mol
- Monoisotopic Mass: 328.14567842g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- Complexity: 390
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.5
- Topological Polar Surface Area: 76.2?2
1,7-Dioxa-4,10-diazacyclododecane, 4-[(4-methylphenyl)sulfonyl]- Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
96563-15-4 (1,7-Dioxa-4,10-diazacyclododecane, 4-[(4-methylphenyl)sulfonyl]-) Related Products
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