CAS
358733-61-6 Purity
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358733-61-6 Purity
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8-Cyclobutyl-1,3-dimethyl-7H-purine-2,6-dione
CAS
35873-48-4
Catalog Number
ACM35873484
Category
Other Products
Molecular Weight
234.254 g/mol
Molecular Formula
C11H14N4O2
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Specification
Synonyms
8-cyclobutyl-1,3-dimethyl-3,9-dihydro-1h-purine-2,6-dione; 8-Cyclobutyl theophylline; Theophylline,8-cyclobutyl; 8-Cyclobutyl-theophyllin; Xanthine,3-cyclobutyl-1,3-dimethyl; 8-cyclobutyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione;
IUPAC Name
8-cyclobutyl-1,3-dimethyl-7H-purine-2,6-dione
Canonical SMILES
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3CCC3
InChI Key
OBURDMXZDVFAKK-UHFFFAOYSA-N
Boiling Point
508.8ºC at 760 mmHg
Flash Point
261.5ºC
Density
1.389g/cm³
Exact Mass
234.11200
H-Bond Acceptor
3
H-Bond Donor
1
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