Cas no 62788-04-9 (Benzonitrile, 4-(4-butylcyclohexyl)-)
62788-04-9 structure
Product Name:Benzonitrile, 4-(4-butylcyclohexyl)-
CAS No:62788-04-9
MF:C17H23N
MW:241.3712246418
CID:431222
Update Time:2024-01-29
Benzonitrile, 4-(4-butylcyclohexyl)- Chemical and Physical Properties
Names and Identifiers
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- Benzonitrile, 4-(4-butylcyclohexyl)-
- 4-(4-Butylcyclohexyl)benzonitrile
- p-(4-Butylcyclohexyl)benzonitrile
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- Inchi： 1S/C17H23N/c1-2-3-4-14-5-9-16(10-6-14)17-11-7-15(13-18)8-12-17/h7-8,11-12,14,16H,2-6,9-10H2,1H3
- InChI Key： YYAVXASAKUOZJJ-UHFFFAOYSA-N
- SMILES： C(#N)C1=CC=C(C2CCC(CCCC)CC2)C=C1
Computed Properties
- Exact Mass: 241.18319
- Monoisotopic Mass: 241.183
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 271
- 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
- Topological Polar Surface Area: 23.8A^2
Experimental Properties
- Density: 0.98
- Boiling Point: 366.6°C at 760 mmHg
- Flash Point: 176.4°C
- Refractive Index: 1.525
- PSA: 23.79
Benzonitrile, 4-(4-butylcyclohexyl)- Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
62788-04-9 (Benzonitrile, 4-(4-butylcyclohexyl)-) Related Products
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