Cas no 13134-00-4 (Propanedinitrile,2-(cyclohexylphenylmethylene)-)
13134-00-4 structure
Product Name:Propanedinitrile,2-(cyclohexylphenylmethylene)-
CAS No:13134-00-4
MF:C16H16N2
MW:236.311643600464
CID:225375
PubChem ID:268670
Update Time:2025-04-19
Propanedinitrile,2-(cyclohexylphenylmethylene)- Chemical and Physical Properties
Names and Identifiers
-
- Propanedinitrile,2-(cyclohexylphenylmethylene)-
- 2-[cyclohexyl(phenyl)methylidene]propanedinitrile
- [cyclohexyl(phenyl)methylidene]propanedinitrile
- AC1L6KRM
- AC1Q4QC5
- AR-1A9226
- KST-1A1073
- NSC108983
- 13134-00-4
- NSC-108983
- DTXSID10296376
-
- Inchi： 1S/C16H16N2/c17-11-15(12-18)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1,3-4,7-8,14H,2,5-6,9-10H2
- InChI Key： GYMYVTAOLJDYJO-UHFFFAOYSA-N
- SMILES： N#C/C(/C#N)=C(/C1C=CC=CC=1)\C1CCCCC1
Computed Properties
- Exact Mass: 236.13148
- Monoisotopic Mass: 236.131348519g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 385
- 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: 4.8
- Topological Polar Surface Area: 47.6?2
Experimental Properties
- PSA: 47.58
- LogP: 4.06766
Propanedinitrile,2-(cyclohexylphenylmethylene)- Related Literature
-
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
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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