Cas no 25751-79-5 (Ethenetricarbonitrile, [3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-)
![Ethenetricarbonitrile, [3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]- structure](https://ossimg.kuujia.com/scimg/26000/25751-79-5x500.png)
25751-79-5 structure
Product Name:Ethenetricarbonitrile, [3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-
CAS No:25751-79-5
MF:C19H21N3O
MW:307.389544248581
CID:1424000
PubChem ID:12613131
Update Time:2025-04-20
Ethenetricarbonitrile, [3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]- Chemical and Physical Properties
Names and Identifiers
-
- Ethenetricarbonitrile, [3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-
- 2-(3,5-ditert-butyl-4-hydroxyphenyl)ethene-1,1,2-tricarbonitrile
- SCHEMBL15494490
- 25751-79-5
- (3,5-Di-tert-butyl-4-hydroxyphenyl)ethene-1,1,2-tricarbonitrile
- DTXSID30504369
- 2-(3,5-ditert-butyl-4-hydroxyphenyl)-1,1,2-ethylenetricarbonitrile
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- Inchi： 1S/C19H21N3O/c1-18(2,3)15-7-12(14(11-22)13(9-20)10-21)8-16(17(15)23)19(4,5)6/h7-8,23H,1-6H3
- InChI Key： DOICWPBNLOALEY-UHFFFAOYSA-N
- SMILES： OC1C(=CC(/C(/C#N)=C(\C#N)/C#N)=CC=1C(C)(C)C)C(C)(C)C
Computed Properties
- Exact Mass: 307.16863
- Monoisotopic Mass: 307.168462302g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 3
- Complexity: 591
- 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: 4.5
- Topological Polar Surface Area: 91.6?2
Experimental Properties
- PSA: 91.6
Ethenetricarbonitrile, [3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]- Related Literature
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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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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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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