1-n-Hexyltheobromine
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Product Description
Product
1-n-Hexyltheobromine
CAS
1028-33-7
Formula
C13H20N4O2
Synonym
1-Hexyl-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione; 1-Hexyl-3,7-dimethylxanthine; 1-Hexyltheobromine; 1H-Purine-2,6-dione, 1-hexyl-3,7-dihydro-3,7-dimethyl-; 1H-Purine-2,6-dione, 3,7-dihydro-1-hexyl-3,7-dimethyl-; 3,7-Dimethyl-1-hexyl-1H,3H-purin-2,6-dione; Cosadon; Cosaldon; Hexyltheobromine; Pentifyllin; SK 7; SK 7 (pharmaceutical); Theobromine, 1-hexyl-
Typical Product Specifications
Molecular weight
264.32
InChI
1S/C13H20N4O2/c1-4-5-6-7-8-17-12(18)10-11(14-9-15(10)2)16(3)13(17)19/h9H,4-8H2,1-3H3
InChIKey
MRWQRJMESRRJJB-UHFFFAOYSA-N
log P (octanol-water)
2.610
Vapor Pressure
6.11E-10 mm Hg
Water solubility
116 mg/L
Henry's Law Constant
1.48E-10 atm-m3/mole
Melting Point
82.5 ° C
Atmospheric OH Rate Constant
2.91E-11 cm3/molecule-sec
Class
1-n-Hexyltheobromine
Product Description
Product
1-n-Hexyltheobromine
CAS
1028-33-7
Formula
C13H20N4O2
Synonym
1-Hexyl-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione; 1-Hexyl-3,7-dimethylxanthine; 1-Hexyltheobromine; 1H-Purine-2,6-dione, 1-hexyl-3,7-dihydro-3,7-dimethyl-; 1H-Purine-2,6-dione, 3,7-dihydro-1-hexyl-3,7-dimethyl-; 3,7-Dimethyl-1-hexyl-1H,3H-purin-2,6-dione; Cosadon; Cosaldon; Hexyltheobromine; Pentifyllin; SK 7; SK 7 (pharmaceutical); Theobromine, 1-hexyl-
Typical Product Specifications
Molecular weight
264.32
InChI
1S/C13H20N4O2/c1-4-5-6-7-8-17-12(18)10-11(14-9-15(10)2)16(3)13(17)19/h9H,4-8H2,1-3H3
InChIKey
MRWQRJMESRRJJB-UHFFFAOYSA-N
log P (octanol-water)
2.610
Vapor Pressure
6.11E-10 mm Hg
Water solubility
116 mg/L
Henry's Law Constant
1.48E-10 atm-m3/mole
Melting Point
82.5 ° C
Atmospheric OH Rate Constant
2.91E-11 cm3/molecule-sec
Class
