Cas no 87215-92-7 (2,4(3H,5H)-Pyrimidinedione,6-[(3-chlorophenyl)amino]-5,5-diethyl-3-methyl-)
87215-92-7 structure
Product Name:2,4(3H,5H)-Pyrimidinedione,6-[(3-chlorophenyl)amino]-5,5-diethyl-3-methyl-
CAS No:87215-92-7
MF:C15H18ClN3O2
MW:307.775322437286
CID:725533
Update Time:2024-01-31
2,4(3H,5H)-Pyrimidinedione,6-[(3-chlorophenyl)amino]-5,5-diethyl-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,4(3H,5H)-Pyrimidinedione,6-[(3-chlorophenyl)amino]-5,5-diethyl-3-methyl-
- 5,5-Diethyl-4-(2-chlorophenyl)iminobarbituric acid
- 6-(3-chloroanilino)-5,5-diethyl-3-methylpyrimidine-2,4-dione
- Reaxys ID: 4521702
- 2,4(3H,5H)-Pyrimidinedione, 6-[(3-chlorophenyl)amino]-5,5-diethyl-3-methyl-
-
- Inchi: 1S/C15H18ClN3O2/c1-4-15(5-2)12(18-14(21)19(3)13(15)20)17-11-8-6-7-10(16)9-11/h6-9H,4-5H2,1-3H3,(H,17,18,21)
- InChI Key: AVPQXQPDGIWWJW-UHFFFAOYSA-N
- SMILES: C1(=O)N=C(NC2=CC=CC(Cl)=C2)C(CC)(CC)C(=O)N1C
Computed Properties
- Exact Mass: 307.108755
- Monoisotopic Mass: 307.108755
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 460
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 61.8
Experimental Properties
- Density: 1.26
- Boiling Point: 398.6°C at 760 mmHg
- Flash Point: 194.9°C
- Refractive Index: 1.595
2,4(3H,5H)-Pyrimidinedione,6-[(3-chlorophenyl)amino]-5,5-diethyl-3-methyl- Related Literature
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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