Cas no 118024-67-2 (3,9-dihydro-1-methyl-3-propyl-1H-Purine-2,6-dione)
118024-67-2 structure
Product Name:3,9-dihydro-1-methyl-3-propyl-1H-Purine-2,6-dione
CAS No:118024-67-2
MF:C9H12N4O2
MW:208.21718120575
CID:158611
PubChem ID:86344
Update Time:2025-04-19
3,9-dihydro-1-methyl-3-propyl-1H-Purine-2,6-dione Chemical and Physical Properties
Names and Identifiers
-
- 3,9-dihydro-1-methyl-3-propyl-1H-Purine-2,6-dione
- 1H-Purine-2,6-dione,3,9-dihydro-1-methyl-3-propyl-
- 1-methyl-3-propyl-7H-purine-2,6-dione
- 3,7-Dihydro-1-methyl-3-propyl-1H-purine-2,6-dione
- XT-10
- 1-Methyl-3-propyl-7H-purine-2,6(1H,3H)-dione
- 1-methyl-3-propyl-3,7-dihydro-1H-purine-2,6-dione
- 1-Methyl-3-propylxanthine
- PD179605
- CHEMBL286976
- CHEBI:145517
- 1-methyl-3-n-propylxanthine
- Xanthine, 1-methyl-3-propyl-
- 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3-propyl-
- BDBM50001509
- SCHEMBL9765669
- 1H-PURINE-2,6-DIONE, 3,9-DIHYDRO-1-METHYL-3-PROP
- DTXSID10879542
- 118024-67-2
- UNII-DWZ57272FA
- 1-methyl-3-propyl-7H-xanthine
- 1H-PURINE-2,6-DIONE, 3,9-DIHYDRO-1-METHYL-3-PROPYL-
- DWZ57272FA
- 1-Methyl-3-propyl-3,7-dihydro-purine-2,6-dione
-
- Inchi： 1S/C9H12N4O2/c1-3-4-13-7-6(10-5-11-7)8(14)12(2)9(13)15/h5H,3-4H2,1-2H3,(H,10,11)
- InChI Key： MCPROACZLSAAPY-UHFFFAOYSA-N
- SMILES： O=C1N(C)C(C2=C(N=CN2)N1CCC)=O
Computed Properties
- Exact Mass: 208.096026
- Monoisotopic Mass: 208.096026
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 294
- 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
- Topological Polar Surface Area: 69.3
Experimental Properties
- Density: 1.326
- Boiling Point: 450.7°Cat760mmHg
- Flash Point: 226.4°C
3,9-dihydro-1-methyl-3-propyl-1H-Purine-2,6-dione Related Literature
-
S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
118024-67-2 (3,9-dihydro-1-methyl-3-propyl-1H-Purine-2,6-dione) Related Products
- 28822-58-4(3-Isobutyl-1-methylxanthine)
- 2850-36-4(1,3-Dibutylxanthine)
- 31542-62-8(1,3-Dipropylxanthine)
- 69-89-6(Xanthine)
- 5967-84-0(Theophylline monohydrate)
- 317-34-0(Aminophylline)
- 1076-22-8(3-Methylxanthine)
- 109987-37-3(1H-Purine-2,6-dione-2-13C,3,7-dihydro-1-(methyl-d3)- (9CI))
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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