Cas no 114884-45-6 (4'-[(R)-2-Methylbutyl]biphenyl-4-carbonitrile)
114884-45-6 structure
Product Name:4'-[(R)-2-Methylbutyl]biphenyl-4-carbonitrile
CAS No:114884-45-6
MF:C18H19N
MW:249.350164651871
CID:2449784
Update Time:2023-08-07
4'-[(R)-2-Methylbutyl]biphenyl-4-carbonitrile Chemical and Physical Properties
Names and Identifiers
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- 4'-[(2R)-2-Methylbutyl]-[1,1'-biphenyl]-4-carbonitrile
- 4'-[(R)-2-Methylbutyl]biphenyl-4-carbonitrile
- (R)-4'-(2-Methylbutyl)-[1,1'-biphenyl]-4-carbonitrile
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- Inchi: 1S/C18H19N/c1-3-14(2)12-15-4-8-17(9-5-15)18-10-6-16(13-19)7-11-18/h4-11,14H,3,12H2,1-2H3/t14-/m1/s1
- InChI Key: DNJQGRFZQMOYGM-CQSZACIVSA-N
- SMILES: N#CC1C=CC(=CC=1)C1C=CC(=CC=1)C[C@H](C)CC
Computed Properties
- Exact Mass: 249.151749610 g/mol
- Monoisotopic Mass: 249.151749610 g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 297
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Molecular Weight: 249.3
- XLogP3: 5.4
- Topological Polar Surface Area: 23.8
Experimental Properties
- Density: 1.02±0.1 g/cm3 (20 oC 760 Torr),
- Solubility: Insuluble (3.7E-5 g/L) (25 oC),
4'-[(R)-2-Methylbutyl]biphenyl-4-carbonitrile Related Literature
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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