Cas no 206279-61-0 (1,3,5-Triazine-2,4,6(1H,3H,5H)-trione,1,3-diamino-)
206279-61-0 structure
Product Name:1,3,5-Triazine-2,4,6(1H,3H,5H)-trione,1,3-diamino-
CAS No:206279-61-0
MF:C3H5N5O3
MW:159.103499174118
CID:241643
PubChem ID:45092643
Update Time:2025-04-19
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione,1,3-diamino- Chemical and Physical Properties
Names and Identifiers
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- 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione,1,3-diamino-
- 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione,1,3-diamino-(9CI)
- 206279-61-0
- 1,3-Diamino-1,3,5-triazinane-2,4,6-trione
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- Inchi： 1S/C3H5N5O3/c4-7-1(9)6-2(10)8(5)3(7)11/h4-5H2,(H,6,9,10)
- InChI Key： YJQUEWQRGFBNFR-UHFFFAOYSA-N
- SMILES： O=C1N(C(NC(N1N)=O)=O)N
Computed Properties
- Exact Mass: 159.039
- Monoisotopic Mass: 159.039
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 215
- 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: 122A^2
- XLogP3: -2.3
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione,1,3-diamino- Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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