Cas no 23146-07-8 (1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(oxiranylmethyl)-)
23146-07-8 structure
Product Name:1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(oxiranylmethyl)-
CAS No:23146-07-8
MF:C10H13N4O3
MW:237.235221624374
CID:238669
PubChem ID:74502748
Update Time:2025-04-19
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(oxiranylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(oxiranylmethyl)-
- 1,3-dimethyl-7-(oxiran-2-ylmethyl)purine-2,6-dione
- 23146-07-8
- 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-oxiranylmethyl)-
-
- Inchi： 1S/C10H13N4O3/c1-12-8-7(9(15)13(2)10(12)16)14(5-11-8)3-6-4-17-6/h5-7H,3-4H2,1-2H3/q+1
- InChI Key： RRDOLZNTXDQLHT-UHFFFAOYSA-N
- SMILES： O1CC1C[N+]1=CN=C2C1C(N(C)C(N2C)=O)=O
Computed Properties
- Exact Mass: 236.09106
- Monoisotopic Mass: 237.09876529g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 470
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.4
- Topological Polar Surface Area: 68.5?2
Experimental Properties
- PSA: 70.97
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(oxiranylmethyl)- Related Literature
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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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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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