Cas no 29770-72-7 (Pentanenitrile, 2-ethyl-4-methyl-)
29770-72-7 structure
Product Name:Pentanenitrile, 2-ethyl-4-methyl-
CAS No:29770-72-7
MF:C8H15N
MW:125.211402177811
CID:1439532
Update Time:2024-08-15
Pentanenitrile, 2-ethyl-4-methyl- Chemical and Physical Properties
Names and Identifiers
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- Pentanenitrile, 2-ethyl-4-methyl-
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- Inchi： 1S/C8H15N/c1-4-8(6-9)5-7(2)3/h7-8H,4-5H2,1-3H3
- InChI Key： VARJVIPTAAIJST-UHFFFAOYSA-N
- SMILES： C(#N)C(CC)CC(C)C
Computed Properties
- Exact Mass: 125.12055
- Monoisotopic Mass: 125.12
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 107
- 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
- Topological Polar Surface Area: 23.8A^2
Experimental Properties
- Density: 0.809±0.06 g/cm3(Predicted)
- Boiling Point: 182.5±8.0 °C(Predicted)
- PSA: 23.79
Pentanenitrile, 2-ethyl-4-methyl- Related Literature
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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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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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
29770-72-7 (Pentanenitrile, 2-ethyl-4-methyl-) Related Products
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