Cas no 327036-87-3 (6H-Purin-6-one,3,9-dihydro-3-propyl-)
327036-87-3 structure
Product Name:6H-Purin-6-one,3,9-dihydro-3-propyl-
CAS No:327036-87-3
MF:C8H10N4O
MW:178.191200733185
CID:301599
PubChem ID:10154299
Update Time:2025-04-19
6H-Purin-6-one,3,9-dihydro-3-propyl- Chemical and Physical Properties
Names and Identifiers
-
- 6H-Purin-6-one,3,9-dihydro-3-propyl-
- 3-Propylhypoxanthine
- 6H-Purin-6-one,3,7-dihydro-3-propyl- (9CI)
- SCHEMBL6676183
- SCHEMBL6676177
- 3-Propyl-3H-purin-6(7H)-one
- 327036-87-3
- 3-propyl-6,7-dihydro-3H-purin-6-one
-
- Inchi： 1S/C8H10N4O/c1-2-3-12-5-11-8(13)6-7(12)10-4-9-6/h4-5H,2-3H2,1H3,(H,9,10)
- InChI Key： YKMBCEBZMJXKSY-UHFFFAOYSA-N
- SMILES： O=C1C2=C(N=CN2)N(C=N1)CCC
Computed Properties
- Exact Mass: 178.0856
- Monoisotopic Mass: 178.08546096g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 240
- 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: 0.6
- Topological Polar Surface Area: 61.4?2
Experimental Properties
- PSA: 61.35
6H-Purin-6-one,3,9-dihydro-3-propyl- Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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