3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanenitrile

Modify Date: 2025-08-25 21:40:49

3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanenitrile Structure
3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanenitrile structure
Common Name 3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanenitrile
CAS Number 1811-38-7 Molecular Weight 233.22700
Density 1.42g/cm3 Boiling Point 525.9ºC at 760 mmHg
Molecular Formula C10H11N5O2 Melting Point N/A
MSDS N/A Flash Point 271.8ºC

 Names

Name 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanenitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.42g/cm3
Boiling Point 525.9ºC at 760 mmHg
Molecular Formula C10H11N5O2
Molecular Weight 233.22700
Flash Point 271.8ºC
Exact Mass 233.09100
PSA 85.61000
Vapour Pressure 3.77E-11mmHg at 25°C
Index of Refraction 1.679
InChIKey KAVJVVVIFOIZKM-UHFFFAOYSA-N
SMILES Cn1c(=O)c2c(ncn2CCC#N)n(C)c1=O

 Synthetic Route

~%

3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanenitrile Structure

3-(1,3-dimethyl...

CAS#:1811-38-7

Literature: Polonowski et al. Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1955 , vol. 241, p. 215 Full Text Show Details Zelnik; Pesson Bulletin de la Societe Chimique de France, 1959 , p. 1667

 Synonyms

7H-Purine-7-propanenitrile,1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo
3-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanenitrile
7-(2-Cyano-ethyl)-theophyllin
7-Cyanoethyltheophylline
3-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-propionitril
3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-propionitrile
7-Cyanaethyl-theophyllin
1,3-dimethyl-7H-xanthine-7-propanenitrile
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