Cas no 160948-27-6 (1H-Purin-2-amine, 8-methyl-6-(phenylmethoxy)-)
160948-27-6 structure
Product Name:1H-Purin-2-amine, 8-methyl-6-(phenylmethoxy)-
CAS No:160948-27-6
MF:C13H13N5O
MW:255.275221586227
CID:1340381
PubChem ID:10015222
Update Time:2025-04-20
1H-Purin-2-amine, 8-methyl-6-(phenylmethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Purin-2-amine, 8-methyl-6-(phenylmethoxy)-
- 8-methyl-6-phenylmethoxy-7H-purin-2-amine
- 160948-27-6
- DTXSID50434235
- 6-(BENZYLOXY)-8-METHYL-1H-PURIN-2-AMINE
- CHEMBL330823
-
- Inchi： 1S/C13H13N5O/c1-8-15-10-11(16-8)17-13(14)18-12(10)19-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H3,14,15,16,17,18)
- InChI Key： CSGNBFCPTIATBJ-UHFFFAOYSA-N
- SMILES： O(CC1C=CC=CC=1)C1C2=C(N=C(N)N=1)N=C(C)N2
Computed Properties
- Exact Mass: 255.11219
- Monoisotopic Mass: 255.11201006g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 297
- 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: 2
- Topological Polar Surface Area: 89.7?2
Experimental Properties
- PSA: 84.36
1H-Purin-2-amine, 8-methyl-6-(phenylmethoxy)- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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