Cas no 93962-72-2 (1,4-Diazoniabicyclo(2.2.2)octane bis(toluene-p-sulphonate))
93962-72-2 structure
Product Name:1,4-Diazoniabicyclo(2.2.2)octane bis(toluene-p-sulphonate)
CAS No:93962-72-2
MF:C20H28N2O6S2
MW:456.57612323761
CID:809592
Update Time:2024-02-01
1,4-Diazoniabicyclo(2.2.2)octane bis(toluene-p-sulphonate) Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Diazoniabicyclo(2.2.2)octane bis(toluene-p-sulphonate)
- 1,4-diazoniabicyclo[2.2.2]octane bis(toluene-p-sulphonate)
- 1,4-diazoniabicyclo[2.2.2]octane,4-methylbenzenesulfonate
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- Inchi： 1S/2C7H8O3S.C6H12N2/c2*1-6-2-4-7(5-3-6)11(8,9)10;1-2-8-5-3-7(1)4-6-8/h2*2-5H,1H3,(H,8,9,10);1-6H2
- InChI Key： NUKKGWZEIYATPX-UHFFFAOYSA-N
- SMILES： [NH+]12CC[NH+](CC1)CC2.C1(C)=CC=C(S([O-])(=O)=O)C=C1.C1(C)=CC=C(S([O-])(=O)=O)C=C1
Computed Properties
- Exact Mass: 456.139
- Monoisotopic Mass: 456.139
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 30
- Rotatable Bond Count: 0
- Complexity: 255
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 140A^2
Experimental Properties
- Boiling Point: 687.1°Cat760mmHg
- Flash Point: 369.4°C
1,4-Diazoniabicyclo(2.2.2)octane bis(toluene-p-sulphonate) Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
93962-72-2 (1,4-Diazoniabicyclo(2.2.2)octane bis(toluene-p-sulphonate)) Related Products
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