Cas no 89540-04-5 (1H-1,4,7-Triazonine, octahydro-2-methyl-1-[(4-methylphenyl)sulfonyl]-)
![1H-1,4,7-Triazonine, octahydro-2-methyl-1-[(4-methylphenyl)sulfonyl]- structure](https://ossimg.kuujia.com/scimg/90000/89540-04-5x500.png)
89540-04-5 structure
Product Name:1H-1,4,7-Triazonine, octahydro-2-methyl-1-[(4-methylphenyl)sulfonyl]-
CAS No:89540-04-5
MF:C14H23N3O2S
MW:297.416321992874
CID:597309
PubChem ID:71324822
Update Time:2025-04-19
1H-1,4,7-Triazonine, octahydro-2-methyl-1-[(4-methylphenyl)sulfonyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1H-1,4,7-Triazonine, octahydro-2-methyl-1-[(4-methylphenyl)sulfonyl]-
- 2-methyl-1-(4-methylphenyl)sulfonyl-1,4,7-triazonane
- DTXSID70754245
- 2-Methyl-1-(4-methylbenzene-1-sulfonyl)-1,4,7-triazonane
- 89540-04-5
-
- Inchi： 1S/C14H23N3O2S/c1-12-3-5-14(6-4-12)20(18,19)17-10-9-15-7-8-16-11-13(17)2/h3-6,13,15-16H,7-11H2,1-2H3
- InChI Key： WZADYVUYXSMWPX-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(N1CCNCCNCC1C)(=O)=O
Computed Properties
- Exact Mass: 297.15109816g/mol
- Monoisotopic Mass: 297.15109816g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 386
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.8
- Topological Polar Surface Area: 69.8?2
1H-1,4,7-Triazonine, octahydro-2-methyl-1-[(4-methylphenyl)sulfonyl]- Related Literature
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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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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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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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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