Cas no 31010-51-2 (9-ethyl-1,9-dihydro-6H-Purin-6-one)
31010-51-2 structure
Product Name:9-ethyl-1,9-dihydro-6H-Purin-6-one
CAS No:31010-51-2
MF:C7H8N4O
MW:164.164620399475
CID:916320
PubChem ID:135421831
Update Time:2025-04-19
9-ethyl-1,9-dihydro-6H-Purin-6-one Chemical and Physical Properties
Names and Identifiers
-
- 9-ethyl-1,9-dihydro-6H-Purin-6-one
- 9-ethyl-3H-purin-6-one
- 9-ethylhypoxanthine
- 9-Ethyl-9H-purin-6-ol
- 9-ethyl-1H-purin-6-one
- SCHEMBL1993930
- 31010-51-2
- DTXSID70328263
- 9H-Purin-6(1H)-one, 9-ethyl-
-
- Inchi： 1S/C7H8N4O/c1-2-11-4-10-5-6(11)8-3-9-7(5)12/h3-4H,2H2,1H3,(H,8,9,12)
- InChI Key： COBZZWPZKRRPEN-UHFFFAOYSA-N
- SMILES： O=C1C2=C(N=CN1)N(C=N2)CC
Computed Properties
- Exact Mass: 164.06994
- Monoisotopic Mass: 164.06981089g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 227
- 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: -0.2
- Topological Polar Surface Area: 59.3?2
Experimental Properties
- PSA: 59.28
9-ethyl-1,9-dihydro-6H-Purin-6-one Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
31010-51-2 (9-ethyl-1,9-dihydro-6H-Purin-6-one) Related Products
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