Cas no 100694-13-1 (6H-Purin-6-one,1,9-dihydro-, labeled with tritium)
100694-13-1 structure
Product Name:6H-Purin-6-one,1,9-dihydro-, labeled with tritium
CAS No:100694-13-1
MF:C5H5ClN4O
MW:174.580508232117
CID:124190
PubChem ID:136662830
Update Time:2025-04-18
6H-Purin-6-one,1,9-dihydro-, labeled with tritium Chemical and Physical Properties
Names and Identifiers
-
- 6H-Purin-6-one,1,9-dihydro-, labeled with tritium
- HYPOXANTHINE MONOHYDROCHLORIDE, [8-3H]
- HYPOXANTHINE MONOHYDROCHLORIDE, H
- HYPOXANTHINE MONOHYDROCHLORIDE [3H(G)]
- HYPOXANTHINE MONOHYDROCHLORIDE [3H(G)]-
- 100694-13-1
- 8-tritio-1,9-dihydropurin-6-one;hydrochloride
- Hypoxanthine monohydrochloride,[8-3h]
-
- Inchi： 1S/C5H4N4O.ClH/c10-5-3-4(7-1-6-3)8-2-9-5;/h1-2H,(H2,6,7,8,9,10);1H/i1T;
- InChI Key： HHQJQDNNYDGYLQ-PXDSPCEXSA-N
- SMILES： Cl.O=C1C2=C(N=CN1)NC([3H])=N2
Computed Properties
- Exact Mass: 174.02300
- Monoisotopic Mass: 172.015
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 190
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 70.1A^2
Experimental Properties
- PSA: 74.43000
- LogP: 0.44820
6H-Purin-6-one,1,9-dihydro-, labeled with tritium Related Literature
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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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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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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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