Cas no 111038-25-6 (1H-Purine-2,6-dione,8-amino-7-(2,3-dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-)
111038-25-6 structure
Product Name:1H-Purine-2,6-dione,8-amino-7-(2,3-dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-
CAS No:111038-25-6
MF:C10H15N5O4
MW:269.257201433182
CID:185696
PubChem ID:3066705
Update Time:2025-04-19
1H-Purine-2,6-dione,8-amino-7-(2,3-dihydroxypropyl)-3,7-dihydro-1,3-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Purine-2,6-dione,8-amino-7-(2,3-dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-
- 8-amino-7-(2,3-dihydroxypropyl)-1,3-dimethyl-purine-2,6-dione
- 8-amino-7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione
- 1H-Purine-2,6-dione, 3,7-dihydro-8-amino-7-(2,3-dihydroxypropyl)-1,3-dimethyl-
- 3,7-Dihydro-8-amino-7-(2,3-dihydroxypropyl)-1,3-dimethyl-1H-purine-2,6-dione
- 7-(2,3-Dihydroxypropyl)-8-aminotheophylline
- 8-amino-7-(2,3-dihydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
- BRN 5603332
- DTXSID70911952
- Oprea1_040711
- 7-(2,3-Dihydroxypropyl)-8-imino-1,3-dimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione
- 111038-25-6
-
- Inchi: 1S/C10H15N5O4/c1-13-7-6(8(18)14(2)10(13)19)15(9(11)12-7)3-5(17)4-16/h5,16-17H,3-4H2,1-2H3,(H2,11,12)
- InChI Key: GYPQWFJSLDOPMK-UHFFFAOYSA-N
- SMILES: OC(CO)CN1C(N)=NC2=C1C(N(C)C(N2C)=O)=O
Computed Properties
- Exact Mass: 269.11255
- Monoisotopic Mass: 269.112
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 392
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: _2.2
- Topological Polar Surface Area: 125?2
Experimental Properties
- Density: 1.7
- Boiling Point: 623.7°Cat760mmHg
- Flash Point: 331°C
- Refractive Index: 1.735
- PSA: 124.92
- LogP: -2.70080
1H-Purine-2,6-dione,8-amino-7-(2,3-dihydroxypropyl)-3,7-dihydro-1,3-dimethyl- Related Literature
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
-
Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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