Cas no 58991-21-2 (1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1-(3-butoxy-2-hydroxypropyl)-)
58991-21-2 structure
Product Name:1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1-(3-butoxy-2-hydroxypropyl)-
CAS No:58991-21-2
MF:C10H17N3O5
MW:259.259082555771
CID:340260
PubChem ID:71443255
Update Time:2025-04-19
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1-(3-butoxy-2-hydroxypropyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1-(3-butoxy-2-hydroxypropyl)-
- 1-(3-butoxy-2-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione
- 58991-21-2
- DTXSID40852085
-
- Inchi： 1S/C10H17N3O5/c1-2-3-4-18-6-7(14)5-13-9(16)11-8(15)12-10(13)17/h7,14H,2-6H2,1H3,(H2,11,12,15,16,17)
- InChI Key： DHKVLYMIYTWYIY-UHFFFAOYSA-N
- SMILES： O(CCCC)CC(CN1C(NC(NC1=O)=O)=O)O
Computed Properties
- Exact Mass: 259.11691
- Monoisotopic Mass: 259.11682065g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 7
- Complexity: 314
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.5
- Topological Polar Surface Area: 108?2
Experimental Properties
- PSA: 107.97
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1-(3-butoxy-2-hydroxypropyl)- Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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