Cas no 82074-10-0 (Propanedinitrile, [bis(4-methylphenyl)methylene]-)
![Propanedinitrile, [bis(4-methylphenyl)methylene]- structure](https://ossimg.kuujia.com/scimg/82500/82074-10-0x500.png)
82074-10-0 structure
Product Name:Propanedinitrile, [bis(4-methylphenyl)methylene]-
CAS No:82074-10-0
MF:C18H14N2
MW:258.317163944244
CID:699666
PubChem ID:11414239
Update Time:2025-04-19
Propanedinitrile, [bis(4-methylphenyl)methylene]- Chemical and Physical Properties
Names and Identifiers
-
- Propanedinitrile, [bis(4-methylphenyl)methylene]-
- 2-[bis(4-methylphenyl)methylidene]propanedinitrile
- SCHEMBL9069194
- DTXSID80465173
- 82074-10-0
-
- Inchi： 1S/C18H14N2/c1-13-3-7-15(8-4-13)18(17(11-19)12-20)16-9-5-14(2)6-10-16/h3-10H,1-2H3
- InChI Key： PCOLLFCUIBQUOA-UHFFFAOYSA-N
- SMILES： N#C/C(/C#N)=C(/C1C=CC(C)=CC=1)\C1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 258.115698455g/mol
- Monoisotopic Mass: 258.115698455g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 412
- 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: 4.3
- Topological Polar Surface Area: 47.6?2
Propanedinitrile, [bis(4-methylphenyl)methylene]- Related Literature
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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