Cas no 132381-82-9 (1,2,4-Benzenetricarbonitrile, 5-(1,1-dimethylethyl)-)
132381-82-9 structure
Product Name:1,2,4-Benzenetricarbonitrile, 5-(1,1-dimethylethyl)-
CAS No:132381-82-9
MF:C13H11N3
MW:209.246542215347
CID:1230717
PubChem ID:14939327
Update Time:2025-04-20
1,2,4-Benzenetricarbonitrile, 5-(1,1-dimethylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-Benzenetricarbonitrile, 5-(1,1-dimethylethyl)-
- 5-tert-butylbenzene-1,2,4-tricarbonitrile
- DTXSID20565767
- 132381-82-9
-
- Inchi： 1S/C13H11N3/c1-13(2,3)12-5-10(7-15)9(6-14)4-11(12)8-16/h4-5H,1-3H3
- InChI Key： IJCHULPUWLBCND-UHFFFAOYSA-N
- SMILES： N#CC1C=C(C#N)C(C#N)=CC=1C(C)(C)C
Computed Properties
- Exact Mass: 209.095297364g/mol
- Monoisotopic Mass: 209.095297364g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 403
- 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: 2.7
- Topological Polar Surface Area: 71.4?2
1,2,4-Benzenetricarbonitrile, 5-(1,1-dimethylethyl)- Related Literature
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
132381-82-9 (1,2,4-Benzenetricarbonitrile, 5-(1,1-dimethylethyl)-) Related Products
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