Cas no 790167-37-2 (1-(6-Aminohexyl)thymine)
1-(6-Aminohexyl)thymine structure
Product Name:1-(6-Aminohexyl)thymine
CAS No:790167-37-2
MF:C11H19N3O2
MW:225.287462472916
CID:555036
Update Time:2023-08-02
1-(6-Aminohexyl)thymine Chemical and Physical Properties
Names and Identifiers
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- 2,4(1H,3H)-Pyrimidinedione,1-(6-aminohexyl)-5-methyl-
- 2,4(1H,3H)-Pyrimidinedione,1-(6-aminohexyl)-5-methyl-(9CI)
- 1-(6-Aminohexyl)thymine
- 1-(6-Aminohexyl)-5-methylpyrimidine-2,4(1H,3H)-dione
-
- Inchi： 1S/C11H19N3O2/c1-9-8-14(11(16)13-10(9)15)7-5-3-2-4-6-12/h8H,2-7,12H2,1H3,(H,13,15,16)
- InChI Key： XXBFCWIMXOKSHB-UHFFFAOYSA-N
- SMILES： O=C1NC(C(C)=CN1CCCCCCN)=O
Computed Properties
- Exact Mass: 225.148
- Monoisotopic Mass: 225.148
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 300
- 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: 0.1
- Topological Polar Surface Area: 75.4
1-(6-Aminohexyl)thymine Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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