1H-Purine-2,6(3H,7H)-dione
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Product Description
Product
1H-Purine-2,6(3H,7H)-dione
CAS
69-89-6
Formula
C5H4N4O2
Synonym
Xanthine; 2,6-Dihydroxypurine; 2,6-Dioxo-1,2,3,6-tetrahydropurine; 2,6-Dioxopurine; 3,7-Dihydro-1H-purine-2,6-dione; 9H-Purine-2,6-(1H,3H)-dione; 9H-Purine-2,6(1H,3H)-dione; 9H-Purine-2,6-diol; AI3-52268; CCRIS 994; Dioxopurine; EINECS 200-718-6; EPA Pesticide Chemical Code 116900; Isocanthine Pseudoxanthine; Isoxanthine; NSC 14664; Pseudoxanthine; purine-2(3H),6(1H)-dione; Purine-2,6-(1H,3H)-dione; Purine-2,6(1H,3H)-dione; Purine-2,6-diol; UNII-1AVZ07U9S7; USAF CB-17; XAN; Xanthic oxide; Xanthin; Xanthine (VAN) (8CI); 1H-Purine-2,6-diol; 1H-Purine-2,6-dione, 3,7-dihydro-; 1H-Purine-2,6-dione, 3,9-dihydro-; 2,6(1,3)-Purinedion
Typical Product Specifications
Molecular weight
152.11
SMILES
c12c(c([nH]c([nH]1)=O)=O)[nH]cn2
InChI
1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
InChIKey
LRFVTYWOQMYALW-UHFFFAOYSA-N
pKa Dissociation Constant
7.53
Vapor Pressure
2.64E-10 mm Hg
Atmospheric OH Rate Constant
5.48E-11 cm3/molecule-sec
Water solubility
69 mg/L
log P (octanol-water)
-0.73
Henry's Law Constant
3.73E-14 atm-m3/mole
Notes
1H-Purine-2,6(3H,7H)-dione uses and applications include: Organic synthesis, medicine
Class
1H-Purine-2,6(3H,7H)-dione
Product Description
Product
1H-Purine-2,6(3H,7H)-dione
CAS
69-89-6
Formula
C5H4N4O2
Synonym
Xanthine; 2,6-Dihydroxypurine; 2,6-Dioxo-1,2,3,6-tetrahydropurine; 2,6-Dioxopurine; 3,7-Dihydro-1H-purine-2,6-dione; 9H-Purine-2,6-(1H,3H)-dione; 9H-Purine-2,6(1H,3H)-dione; 9H-Purine-2,6-diol; AI3-52268; CCRIS 994; Dioxopurine; EINECS 200-718-6; EPA Pesticide Chemical Code 116900; Isocanthine Pseudoxanthine; Isoxanthine; NSC 14664; Pseudoxanthine; purine-2(3H),6(1H)-dione; Purine-2,6-(1H,3H)-dione; Purine-2,6(1H,3H)-dione; Purine-2,6-diol; UNII-1AVZ07U9S7; USAF CB-17; XAN; Xanthic oxide; Xanthin; Xanthine (VAN) (8CI); 1H-Purine-2,6-diol; 1H-Purine-2,6-dione, 3,7-dihydro-; 1H-Purine-2,6-dione, 3,9-dihydro-; 2,6(1,3)-Purinedion
Typical Product Specifications
Molecular weight
152.11
SMILES
c12c(c([nH]c([nH]1)=O)=O)[nH]cn2
InChI
1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
InChIKey
LRFVTYWOQMYALW-UHFFFAOYSA-N
pKa Dissociation Constant
7.53
Vapor Pressure
2.64E-10 mm Hg
Atmospheric OH Rate Constant
5.48E-11 cm3/molecule-sec
Water solubility
69 mg/L
log P (octanol-water)
-0.73
Henry's Law Constant
3.73E-14 atm-m3/mole
Notes
1H-Purine-2,6(3H,7H)-dione uses and applications include: Organic synthesis, medicine
Class
