Cas no 227955-03-5 (6H-Purin-6-one,1,9-dihydro-8-(1-methylethyl)-)
227955-03-5 structure
Product Name:6H-Purin-6-one,1,9-dihydro-8-(1-methylethyl)-
CAS No:227955-03-5
MF:C8H10N4O
MW:178.191200733185
CID:245029
PubChem ID:135563247
Update Time:2025-04-19
6H-Purin-6-one,1,9-dihydro-8-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 6H-Purin-6-one,1,9-dihydro-8-(1-methylethyl)-
- 6H-Purin-6-one,1,7-dihydro-8-(1-methylethyl)- (9CI)
- SCHEMBL8178784
- SCHEMBL22487726
- 8-(propan-2-yl)-6,7-dihydro-1H-purin-6-one
- 227955-03-5
- 8-Isopropyl-1H-purin-6(7H)-one
-
- Inchi： 1S/C8H10N4O/c1-4(2)6-11-5-7(12-6)9-3-10-8(5)13/h3-4H,1-2H3,(H2,9,10,11,12,13)
- InChI Key： CZKBGEOHCCZULP-UHFFFAOYSA-N
- SMILES： O=C1C2=C(N=CN1)N=C(C(C)C)N2
Computed Properties
- Exact Mass: 178.0856
- Monoisotopic Mass: 178.08546096g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 251
- 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: 0.7
- Topological Polar Surface Area: 70.1?2
Experimental Properties
- PSA: 70.14
6H-Purin-6-one,1,9-dihydro-8-(1-methylethyl)- Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
227955-03-5 (6H-Purin-6-one,1,9-dihydro-8-(1-methylethyl)-) Related Products
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