Cas no 66678-76-0 (1,3,5-Triazine-2,4(1H,3H)-dione, 1-butyldihydro-)
66678-76-0 structure
Product Name:1,3,5-Triazine-2,4(1H,3H)-dione, 1-butyldihydro-
CAS No:66678-76-0
MF:C7H13N3O2
MW:171.197021245956
CID:395968
PubChem ID:20476321
Update Time:2025-04-19
1,3,5-Triazine-2,4(1H,3H)-dione, 1-butyldihydro- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Triazine-2,4(1H,3H)-dione, 1-butyldihydro-
- 1-butyl-1,3,5-triazinane-2,4-dione
- DTXSID50607720
- 5-n-butyl-5,6-dihydro-s-triazine-2,4-(1H,3H)-dione
- SJZYLEYLFVJFMD-UHFFFAOYSA-N
- SCHEMBL11190250
- 66678-76-0
-
- Inchi： 1S/C7H13N3O2/c1-2-3-4-10-5-8-6(11)9-7(10)12/h2-5H2,1H3,(H2,8,9,11,12)
- InChI Key： SJZYLEYLFVJFMD-UHFFFAOYSA-N
- SMILES： O=C1NC(NCN1CCCC)=O
Computed Properties
- Exact Mass: 171.10089
- Monoisotopic Mass: 171.100776666g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 193
- 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: 0.3
- Topological Polar Surface Area: 61.4?2
Experimental Properties
- PSA: 61.44
1,3,5-Triazine-2,4(1H,3H)-dione, 1-butyldihydro- Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
66678-76-0 (1,3,5-Triazine-2,4(1H,3H)-dione, 1-butyldihydro-) Related Products
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