Cas no 918334-37-9 (9H-Purine-9-acetic acid, 6-(methylamino)-)
918334-37-9 structure
Product Name:9H-Purine-9-acetic acid, 6-(methylamino)-
CAS No:918334-37-9
MF:C8H9N5O2
MW:207.189360380173
CID:777531
PubChem ID:71427492
Update Time:2025-04-19
9H-Purine-9-acetic acid, 6-(methylamino)- Chemical and Physical Properties
Names and Identifiers
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- 9H-Purine-9-acetic acid, 6-(methylamino)-
- 2-[6-(methylamino)purin-9-yl]acetic acid
- 2-[6-(methylamino)-9H-purin-9-yl]acetic acid
- 918334-37-9
- 2-(6-(Methylamino)-9H-purin-9-yl)acetic acid
- DTXSID90846232
- [6-(Methylamino)-9H-purin-9-yl]acetic acid
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- Inchi： 1S/C8H9N5O2/c1-9-7-6-8(11-3-10-7)13(4-12-6)2-5(14)15/h3-4H,2H2,1H3,(H,14,15)(H,9,10,11)
- InChI Key： JSTLHOLFKNFYDR-UHFFFAOYSA-N
- SMILES： OC(CN1C=NC2=C(N=CN=C12)NC)=O
Computed Properties
- Exact Mass: 207.07562455g/mol
- Monoisotopic Mass: 207.07562455g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 249
- 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: 0.3
- Topological Polar Surface Area: 92.9?2
9H-Purine-9-acetic acid, 6-(methylamino)- Related Literature
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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