Cas no 1256955-46-0 (Quinazoline, 4-chloro-6-ethyl-5,6,7,8-tetrahydro-2-methyl-)
1256955-46-0 structure
Product Name:Quinazoline, 4-chloro-6-ethyl-5,6,7,8-tetrahydro-2-methyl-
CAS No:1256955-46-0
MF:C11H15ClN2
MW:210.703201532364
CID:2143865
Update Time:2023-11-19
Quinazoline, 4-chloro-6-ethyl-5,6,7,8-tetrahydro-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-chloro-6-ethyl-2-methyl-5,6,7,8-tetrahydroquinazoline
- CID 87167421
- Quinazoline, 4-chloro-6-ethyl-5,6,7,8-tetrahydro-2-methyl-
-
- Inchi： 1S/C11H15ClN2/c1-3-8-4-5-10-9(6-8)11(12)14-7(2)13-10/h8H,3-6H2,1-2H3
- InChI Key： JLYJJKMKURAULG-UHFFFAOYSA-N
- SMILES： ClC1=C2C(CCC(CC)C2)=NC(C)=N1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 198
- Topological Polar Surface Area: 25.8
Experimental Properties
- Density: 1.117±0.06 g/cm3(Predicted)
- Boiling Point: 309.4±42.0 °C(Predicted)
- pka: 1.55±0.40(Predicted)
Quinazoline, 4-chloro-6-ethyl-5,6,7,8-tetrahydro-2-methyl- Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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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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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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