Cas no 53438-98-5 (2,4(1H,3H)-Pyrimidinedione, 1-(2-bromoethyl)-5-methyl-)
53438-98-5 structure
Product Name:2,4(1H,3H)-Pyrimidinedione, 1-(2-bromoethyl)-5-methyl-
CAS No:53438-98-5
MF:C7H9BrN2O2
MW:233.062560796738
CID:357264
PubChem ID:15374492
Update Time:2025-04-19
2,4(1H,3H)-Pyrimidinedione, 1-(2-bromoethyl)-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,4(1H,3H)-Pyrimidinedione, 1-(2-bromoethyl)-5-methyl-
- 1-(2-bromoethyl)-5-methylpyrimidine-2,4-dione
- 1-(2-Bromoethyl)-5-methylpyrimidine-2,4(1H,3H)-dione
- DTXSID40572130
- 53438-98-5
-
- Inchi： 1S/C7H9BrN2O2/c1-5-4-10(3-2-8)7(12)9-6(5)11/h4H,2-3H2,1H3,(H,9,11,12)
- InChI Key： MDPOWKDHWLSZEH-UHFFFAOYSA-N
- SMILES： BrCCN1C(NC(C(C)=C1)=O)=O
Computed Properties
- Exact Mass: 231.98477
- Monoisotopic Mass: 231.98474g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 250
- 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: 0.2
- Topological Polar Surface Area: 49.4?2
Experimental Properties
- PSA: 49.41
2,4(1H,3H)-Pyrimidinedione, 1-(2-bromoethyl)-5-methyl- Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
53438-98-5 (2,4(1H,3H)-Pyrimidinedione, 1-(2-bromoethyl)-5-methyl-) Related Products
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