Cas no 6974-51-2 (1-Naphthaleneacetonitrile,a-phenyl-)
6974-51-2 structure
Product Name:1-Naphthaleneacetonitrile,a-phenyl-
1-Naphthaleneacetonitrile,a-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Naphthaleneacetonitrile,a-phenyl-
- 2-naphthalen-1-yl-2-phenylacetonitrile
- 2-naphthalen-1-yl-2-phenyl-acetonitrile
- SCHEMBL9646346
- CHEMBL1972325
- NSC23829
- 6974-51-2
- NSC-23829
- DTXSID30282014
-
- Inchi： 1S/C18H13N/c19-13-18(15-7-2-1-3-8-15)17-12-6-10-14-9-4-5-11-16(14)17/h1-12,18H
- InChI Key： DJHWWEPQEQVCLE-UHFFFAOYSA-N
- SMILES： N#CC(C1C=CC=CC=1)C1=CC=CC2C=CC=CC1=2
Computed Properties
- Exact Mass: 243.104799
- Monoisotopic Mass: 243.104799
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 333
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.8
- Topological Polar Surface Area: 23.8
Experimental Properties
- Density: 1.139
- Boiling Point: 409.2°C at 760 mmHg
- Flash Point: 218.9°C
- Refractive Index: 1.65
1-Naphthaleneacetonitrile,a-phenyl- Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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