Cas no 112654-10-1 (2-(1-phenylethyl)-2-prop-1-enylpropanedinitrile)
112654-10-1 structure
Product Name:2-(1-phenylethyl)-2-prop-1-enylpropanedinitrile
CAS No:112654-10-1
MF:C14H14N2
MW:210.274363040924
CID:2609250
PubChem ID:71336642
Update Time:2025-04-21
2-(1-phenylethyl)-2-prop-1-enylpropanedinitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-(1-phenylethyl)-2-prop-1-enylpropanedinitrile
- 112654-10-1
- (1-Phenylethyl)(prop-1-en-1-yl)propanedinitrile
- DTXSID00764438
-
- Inchi： 1S/C14H14N2/c1-3-9-14(10-15,11-16)12(2)13-7-5-4-6-8-13/h3-9,12H,1-2H3
- InChI Key： KFBLAPYCUPSDHT-UHFFFAOYSA-N
- SMILES： N#CC(C#N)(C=CC)C(C)C1C=CC=CC=1
Computed Properties
- Exact Mass: 210.115698455Da
- Monoisotopic Mass: 210.115698455Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 327
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 3.1
- Topological Polar Surface Area: 47.6?2
2-(1-phenylethyl)-2-prop-1-enylpropanedinitrile Related Literature
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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