Cas no 66678-74-8 (1,3,5-Triazine-2,4(1H,3H)-dione, 1-ethyldihydro-)
66678-74-8 structure
Product Name:1,3,5-Triazine-2,4(1H,3H)-dione, 1-ethyldihydro-
CAS No:66678-74-8
MF:C5H9N3O2
MW:143.143860578537
CID:395969
PubChem ID:13248199
Update Time:2025-04-19
1,3,5-Triazine-2,4(1H,3H)-dione, 1-ethyldihydro- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Triazine-2,4(1H,3H)-dione, 1-ethyldihydro-
- 1-ethyl-1,3,5-triazinane-2,4-dione
- 66678-74-8
- 5-Ethyl-5,6-dihydro-s-triazine-2,4-(1H,3H)-dione
- DTXSID50531834
- JSSARRKQIIWPFC-UHFFFAOYSA-N
- SCHEMBL11097087
- AKOS006357155
-
- Inchi： 1S/C5H9N3O2/c1-2-8-3-6-4(9)7-5(8)10/h2-3H2,1H3,(H2,6,7,9,10)
- InChI Key： JSSARRKQIIWPFC-UHFFFAOYSA-N
- SMILES： O=C1NC(NCN1CC)=O
Computed Properties
- Exact Mass: 143.06957
- Monoisotopic Mass: 143.069476538g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 168
- 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: -0.6
- Topological Polar Surface Area: 61.4?2
Experimental Properties
- PSA: 61.44
1,3,5-Triazine-2,4(1H,3H)-dione, 1-ethyldihydro- Related Literature
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Connor J. Taylor,Hikaru Seki,Friederike M. Dannheim,Mark J. Willis,Graeme Clemens,Brian A. Taylor,Thomas W. Chamberlain,Richard A. Bourne React. Chem. Eng., 2021,6, 1404-1411
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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