Cas no 118822-55-2 (Propanenitrile,3-[(2-amino-9H-purin-6-yl)oxy]-)
![Propanenitrile,3-[(2-amino-9H-purin-6-yl)oxy]- structure](https://ossimg.kuujia.com/scimg/119000/118822-55-2x500.png)
118822-55-2 structure
Product Name:Propanenitrile,3-[(2-amino-9H-purin-6-yl)oxy]-
CAS No:118822-55-2
MF:C8H8N6O
MW:204.188719749451
CID:205859
PubChem ID:164080
Update Time:2025-04-19
Propanenitrile,3-[(2-amino-9H-purin-6-yl)oxy]- Chemical and Physical Properties
Names and Identifiers
-
- Propanenitrile,3-[(2-amino-9H-purin-6-yl)oxy]-
- 3-[(2-amino-7H-purin-6-yl)oxy]propanenitrile
- O(6)-(2-cyanoethyl)guanine
- Propanenitrile, 3-((2-amino-1H-purin-6-yl)oxy)-
- SCHEMBL10578850
- 118822-55-2
- DTXSID90152249
-
- Inchi： 1S/C8H8N6O/c9-2-1-3-15-7-5-6(12-4-11-5)13-8(10)14-7/h4H,1,3H2,(H3,10,11,12,13,14)
- InChI Key： SGRXVOKUPDFBAC-UHFFFAOYSA-N
- SMILES： O(CCC#N)C1=C2C(=NC(N)=N1)N=CN2
Computed Properties
- Exact Mass: 203.06831
- Monoisotopic Mass: 204.07595890g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 263
- 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: -0.6
- Topological Polar Surface Area: 114?2
Experimental Properties
- PSA: 110.6
Propanenitrile,3-[(2-amino-9H-purin-6-yl)oxy]- Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
118822-55-2 (Propanenitrile,3-[(2-amino-9H-purin-6-yl)oxy]-) Related Products
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