Cas no 4616-73-3 (icosanenitrile)
icosanenitrile structure
Product Name:icosanenitrile
icosanenitrile Chemical and Physical Properties
Names and Identifiers
-
- icosanenitrile
- eicosanenitrile
- UNII-OST0HZ759A
- OST0HZ759A
- Eicosanonitrile
- DTXSID10196746
- 4616-73-3
- BYCIKRXQXRFYED-UHFFFAOYSA-N
- octadecyl-acetonitrile
- Icosanenitrile #
- SCHEMBL2154283
-
- Inchi： 1S/C20H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h2-19H2,1H3
- InChI Key： BYCIKRXQXRFYED-UHFFFAOYSA-N
- SMILES： N#CCCCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 293.30847
- Monoisotopic Mass: 293.308250248g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 21
- Rotatable Bond Count: 17
- Complexity: 225
- 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: 9.1
- Topological Polar Surface Area: 23.8?2
Experimental Properties
- Density: 0.8523 (estimate)
- Melting Point: 50.6°C
- Boiling Point: 400.37°C (estimate)
- Refractive Index: 1.4439 (estimate)
- PSA: 23.79
icosanenitrile Related Literature
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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