Cas no 81475-40-3 (6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(2-hydroxy-1-methylethoxy)methyl]-)
![6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(2-hydroxy-1-methylethoxy)methyl]- structure](https://ossimg.kuujia.com/scimg/81500/81475-40-3x500.png)
81475-40-3 structure
Product Name:6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(2-hydroxy-1-methylethoxy)methyl]-
CAS No:81475-40-3
MF:C9H13N5O3
MW:239.231220960617
CID:703864
Update Time:2023-11-18
6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(2-hydroxy-1-methylethoxy)methyl]- Chemical and Physical Properties
Names and Identifiers
-
- 6H-Purin-6-one,2-amino-1,9-dihydro-9-[(2-hydroxy-1-methylethoxy)methyl]-
- 2-amino-9-[(2-hydroxy-1-methyl-ethoxy)methyl]-1H-purin-6-one
- 6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(2-hydroxy-1-methylethoxy)methyl]-
- CID 135480727
-
- Inchi： 1S/C9H13N5O3/c1-5(2-15)17-4-14-3-11-6-7(14)12-9(10)13-8(6)16/h3,5,15H,2,4H2,1H3,(H3,10,12,13,16)
- InChI Key： UNWIIRHTNRPNHU-UHFFFAOYSA-N
- SMILES： O(C(C)CO)CN1C=NC2C(NC(N)=NC1=2)=O
Computed Properties
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 335
- Topological Polar Surface Area: 115
Experimental Properties
- Density: 1.67±0.1 g/cm3(Predicted)
- pka: 9.36±0.20(Predicted)
6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(2-hydroxy-1-methylethoxy)methyl]- Related Literature
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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
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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