Cas no 22247-83-2 (6H-Purin-6-one,9-(2-chloroethyl)-1,9-dihydro-)
22247-83-2 structure
Product Name:6H-Purin-6-one,9-(2-chloroethyl)-1,9-dihydro-
CAS No:22247-83-2
MF:C7H7ClN4O
MW:198.609679460526
CID:289232
PubChem ID:135408661
Update Time:2025-04-19
6H-Purin-6-one,9-(2-chloroethyl)-1,9-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 6H-Purin-6-one,9-(2-chloroethyl)-1,9-dihydro-
- 9-(2-chloroethyl)-3H-purin-6-one
- 9-(2-chloroethyl)-3,9-dihydro-6h-purin-6-one
- AC1L6EXJ
- AC1Q3V4K
- AG-K-79902
- AR-1H4940
- CTK4E9000
- NSC56457
- NSC-56457
- 22247-83-2
- 9-(2-chloroethyl)-6,9-dihydro-1H-purin-6-one
- 9-(2-chloroethyl)-1H-purin-6-one
- 9-(2-Chloroethyl)-1H-purin-6(9H)-one
- DTXSID50288538
-
- Inchi： 1S/C7H7ClN4O/c8-1-2-12-4-11-5-6(12)9-3-10-7(5)13/h3-4H,1-2H2,(H,9,10,13)
- InChI Key： DVOXTTPHGIBFIK-UHFFFAOYSA-N
- SMILES： ClCCN1C=NC2C(NC=NC1=2)=O
Computed Properties
- Exact Mass: 198.03101
- Monoisotopic Mass: 198.031
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 245
- 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
- XLogP3: 0
- Topological Polar Surface Area: 59.3?2
Experimental Properties
- Density: 1.65
- Boiling Point: 476.9°Cat760mmHg
- Flash Point: 242.2°C
- Refractive Index: 1.739
- PSA: 59.28
- LogP: 0.35840
6H-Purin-6-one,9-(2-chloroethyl)-1,9-dihydro- Related Literature
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
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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