Cas no 23199-21-5 (6H-Purin-6-one-8-t,2-amino-1,7-dihydro- (9CI))
23199-21-5 structure
Product Name:6H-Purin-6-one-8-t,2-amino-1,7-dihydro- (9CI)
CAS No:23199-21-5
MF:C5H5N5O
MW:151.126099348068
CID:251833
PubChem ID:135818268
Update Time:2024-02-28
6H-Purin-6-one-8-t,2-amino-1,7-dihydro- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 6H-Purin-6-one-8-t,2-amino-1,7-dihydro- (9CI)
- GUANINE-8-3H HYDROCHLORIDE
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- Inchi： 1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
- InChI Key： UYTPUPDQBNUYGX-UHFFFAOYSA-N
- SMILES： O=C1NC(N)=NC2NC([H])=NC1=2
Computed Properties
- Exact Mass: 189.034
- Monoisotopic Mass: 189.034
- Isotope Atom Count: 1
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 225
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 96.2A^2
- XLogP3: -1.1
6H-Purin-6-one-8-t,2-amino-1,7-dihydro- (9CI) Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
23199-21-5 (6H-Purin-6-one-8-t,2-amino-1,7-dihydro- (9CI)) Related Products
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