Cas no 138580-87-7 (3-Quinolinecarbonitrile, 2-chloro-4-(diethylamino)-)
138580-87-7 structure
Product Name:3-Quinolinecarbonitrile, 2-chloro-4-(diethylamino)-
CAS No:138580-87-7
MF:C14H14ClN3
MW:259.734061717987
CID:1253416
Update Time:2024-08-03
3-Quinolinecarbonitrile, 2-chloro-4-(diethylamino)- Chemical and Physical Properties
Names and Identifiers
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- 3-Quinolinecarbonitrile, 2-chloro-4-(diethylamino)-
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- Inchi： 1S/C14H14ClN3/c1-3-18(4-2)13-10-7-5-6-8-12(10)17-14(15)11(13)9-16/h5-8H,3-4H2,1-2H3
- InChI Key： YOTOLMOOXRDJRF-UHFFFAOYSA-N
- SMILES： N1C2C(=CC=CC=2)C(N(CC)CC)=C(C#N)C=1Cl
Computed Properties
- Exact Mass: 273.10348
Experimental Properties
- Density: 1.23±0.1 g/cm3(Predicted)
- Melting Point: 134-136 °C(Solv: ethanol (64-17-5))
- Boiling Point: 423.5±45.0 °C(Predicted)
- PSA: 39.92
- pka: 2.11±0.50(Predicted)
3-Quinolinecarbonitrile, 2-chloro-4-(diethylamino)- Related Literature
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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