2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl nicotinate
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Product Description
Product
2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl nicotinate
CAS
13425-39-3
Formula
C15H15N5O4
Synonym
Etofylline nicotinate; 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl nicotinate; Einecs 236-544-2; Nicotinic acid 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester
Typical Product Specifications
Molecular weight
329.31
EINECS
236-544-2
SMILES
Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCOC(=O)c3cccnc3
InChI
ZWIAODBBEZGVPY-UHFFFAOYSA-N
InChIKey
1S/C15H15N5O4/c1-18-12-11(13(21)19(2)15(18)23)20(9-17-12)6-7-24-14(22)10-4-3-5-16-8-10/h3-5,8-9H,6-7H2,1-2H3
Atmospheric OH Rate Constant
2.24E-11 cm3/molecule-sec
Henry's Law Constant
2.93E-17 atm-m3/mole
Melting Point
151-152 ° C
Water solubility
2.00E+04 mg/L
Vapor Pressure
1.84E-12 mm Hg
log P (octanol-water)
0.450
Class
2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl nicotinate
Product Description
Product
2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl nicotinate
CAS
13425-39-3
Formula
C15H15N5O4
Synonym
Etofylline nicotinate; 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl nicotinate; Einecs 236-544-2; Nicotinic acid 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester
Typical Product Specifications
Molecular weight
329.31
EINECS
236-544-2
SMILES
Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCOC(=O)c3cccnc3
InChI
ZWIAODBBEZGVPY-UHFFFAOYSA-N
InChIKey
1S/C15H15N5O4/c1-18-12-11(13(21)19(2)15(18)23)20(9-17-12)6-7-24-14(22)10-4-3-5-16-8-10/h3-5,8-9H,6-7H2,1-2H3
Atmospheric OH Rate Constant
2.24E-11 cm3/molecule-sec
Henry's Law Constant
2.93E-17 atm-m3/mole
Melting Point
151-152 ° C
Water solubility
2.00E+04 mg/L
Vapor Pressure
1.84E-12 mm Hg
log P (octanol-water)
0.450
Class
