CAS
5770-06-9 Purity
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5770-06-9 Purity
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8-ethyl-1,3-dimethyl-7H-purine-2,6-dione
CAS
5770-28-5
Catalog Number
ACM5770285
Category
Other Products
Molecular Weight
208.217 g/mol
Molecular Formula
C9H12N4O2
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Specification
Synonyms
8-Ethyltheophylline; 8-ethyl-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione; Theophylline,8-ethyl; Xanthine,1,3-dimethyl-8-ethyl; 8-Aethyl-1,3-dimethyl-3,7-dihydro-purin-2,6-dion; 1,3-dimethyl-8-ethylxanthine; 8-ethyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dio
IUPAC Name
8-ethyl-1,3-dimethyl-7H-purine-2,6-dione
Canonical SMILES
CCC1=NC2=C(N1)C(=O)N(C(=O)N2C)C
InChI Key
KTJSVELYMZTQJB-UHFFFAOYSA-N
Boiling Point
461.5ºC at 760 mmHg
Flash Point
232.9ºC
Density
1.337g/cm³
Exact Mass
208.09600
H-Bond Acceptor
3
H-Bond Donor
1
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