Cas no 918334-35-7 (9H-Purine-9-acetic acid, 6-(methylamino)-, 1,1-dimethylethyl ester)
918334-35-7 structure
Product Name:9H-Purine-9-acetic acid, 6-(methylamino)-, 1,1-dimethylethyl ester
CAS No:918334-35-7
MF:C12H17N5O2
MW:263.295681715012
CID:777533
PubChem ID:71427494
Update Time:2025-04-19
9H-Purine-9-acetic acid, 6-(methylamino)-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
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- 9H-Purine-9-acetic acid, 6-(methylamino)-, 1,1-dimethylethyl ester
- tert-butyl 2-[6-(methylamino)purin-9-yl]acetate
- 918334-35-7
- tert-Butyl [6-(methylamino)-9H-purin-9-yl]acetate
- tert-butyl 2-[6-(methylamino)-9H-purin-9-yl]acetate
- tert-Butyl 2-(6-(methylamino)-9H-purin-9-yl)acetate
- DTXSID10846234
-
- Inchi： 1S/C12H17N5O2/c1-12(2,3)19-8(18)5-17-7-16-9-10(13-4)14-6-15-11(9)17/h6-7H,5H2,1-4H3,(H,13,14,15)
- InChI Key： PERVFTARWKYZTR-UHFFFAOYSA-N
- SMILES： O(C(CN1C=NC2=C(N=CN=C12)NC)=O)C(C)(C)C
Computed Properties
- Exact Mass: 263.13822480g/mol
- Monoisotopic Mass: 263.13822480g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 331
- 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: 1.6
- Topological Polar Surface Area: 81.9?2
9H-Purine-9-acetic acid, 6-(methylamino)-, 1,1-dimethylethyl ester Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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