Cas no 68124-64-1 (Tetrabutylammonium phthalate)
Tetrabutylammonium phthalate structure
Product Name:Tetrabutylammonium phthalate
CAS No:68124-64-1
MF:C40H76N2O4
MW:649.042452812195
CID:968906
PubChem ID:12049480
Update Time:2025-04-19
Tetrabutylammonium phthalate Chemical and Physical Properties
Names and Identifiers
-
- Tetrabutylammonium phthalate
- phthalate,tetrabutylazanium
- N,N,N-Tributyl-1-butanaminium 1,2-benzenedicarboxylate
- 68124-64-1
- phthalate;tetrabutylazanium
- SCHEMBL106854
- DTXSID50476493
- Tetrabutylammonium-phthalat
- AG-G-59995
- DB-372083
-
- Inchi： 1S/2C16H36N.C8H6O4/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;9-7(10)5-3-1-2-4-6(5)8(11)12/h2*5-16H2,1-4H3;1-4H,(H,9,10)(H,11,12)/q2*+1;/p-2
- InChI Key： NGJPFUZHXVGJDW-UHFFFAOYSA-L
- SMILES： [O-]C(C1C=CC=CC=1C(=O)[O-])=O.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
Computed Properties
- Exact Mass: 648.58050891g/mol
- Monoisotopic Mass: 648.58050891g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 46
- Rotatable Bond Count: 24
- Complexity: 282
- 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: 80.3?2
Tetrabutylammonium phthalate Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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