Cas no 5429-31-2 (1H-Purine-2,6-dione,8-(1-ethylpropyl)-3,9-dihydro-1,3-dimethyl-)
5429-31-2 structure
Product Name:1H-Purine-2,6-dione,8-(1-ethylpropyl)-3,9-dihydro-1,3-dimethyl-
CAS No:5429-31-2
MF:C12H18N4O2
MW:250.296922206879
CID:382306
PubChem ID:225056
Update Time:2025-04-19
1H-Purine-2,6-dione,8-(1-ethylpropyl)-3,9-dihydro-1,3-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Purine-2,6-dione,8-(1-ethylpropyl)-3,9-dihydro-1,3-dimethyl-
- 1,3-dimethyl-8-pentan-3-yl-7H-purine-2,6-dione
- 1,3-dimethyl-8-(pentan-3-yl)-3,7-dihydro-1h-purine-2,6-dione
- 8-(1-Aethyl-propyl)-1,3-dimethyl-3,7-dihydro-purin-2,6-dion
- 8-(1-ethyl-propyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
- AC1L5DRA
- AC1Q6LAH
- AR-1B7040
- CTK5A0372
- KST-1B6461
- NSC14121
- 5429-31-2
- DTXSID50279784
- NSC-14121
-
- Inchi： 1S/C12H18N4O2/c1-5-7(6-2)9-13-8-10(14-9)15(3)12(18)16(4)11(8)17/h7H,5-6H2,1-4H3,(H,13,14)
- InChI Key： VVSQVOPTVRQOHP-UHFFFAOYSA-N
- SMILES： O=C1C2=C(N(C)C(N1C)=O)N=C(C(CC)CC)N2
Computed Properties
- Exact Mass: 250.14314
- Monoisotopic Mass: 250.143
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 356
- 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: 1.9
- Topological Polar Surface Area: 69.3?2
Experimental Properties
- Density: 1.215
- Boiling Point: 460.8°Cat760mmHg
- Flash Point: 232.5°C
- Refractive Index: 1.559
- PSA: 69.3
- LogP: 0.86390
1H-Purine-2,6-dione,8-(1-ethylpropyl)-3,9-dihydro-1,3-dimethyl- Related Literature
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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