Cas no 805182-59-6 (1H-Purine-2,6-dione,8-(aminomethyl)-3,7-dihydro-3,7-dimethyl-(9CI))
805182-59-6 structure
Product Name:1H-Purine-2,6-dione,8-(aminomethyl)-3,7-dihydro-3,7-dimethyl-(9CI)
CAS No:805182-59-6
MF:C8H11N5O2
MW:209.205240488052
CID:985733
PubChem ID:45097148
Update Time:2025-04-20
1H-Purine-2,6-dione,8-(aminomethyl)-3,7-dihydro-3,7-dimethyl-(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Purine-2,6-dione,8-(aminomethyl)-3,7-dihydro-3,7-dimethyl-(9CI)
- 805182-59-6
- 8-(aminomethyl)-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
- 8-(Aminomethyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
-
- Inchi： 1S/C8H11N5O2/c1-12-4(3-9)10-6-5(12)7(14)11-8(15)13(6)2/h3,9H2,1-2H3,(H,11,14,15)
- InChI Key： OXGPETZUBRRFHQ-UHFFFAOYSA-N
- SMILES： O=C1C2=C(N=C(CN)N2C)N(C)C(N1)=O
Computed Properties
- Exact Mass: 209.09127461g/mol
- Monoisotopic Mass: 209.09127461g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 307
- 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: -1.9
- Topological Polar Surface Area: 93.2?2
1H-Purine-2,6-dione,8-(aminomethyl)-3,7-dihydro-3,7-dimethyl-(9CI) Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
805182-59-6 (1H-Purine-2,6-dione,8-(aminomethyl)-3,7-dihydro-3,7-dimethyl-(9CI)) Related Products
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