CAS
18077-26-4 Purity
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18077-26-4 Purity
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1,3-Dimethyl-7-(phenylmethyl)purine-2,6-dione
CAS
1807-85-8
Catalog Number
ACM1807858
Category
Other Products
Molecular Weight
270.287 g/mol
Molecular Formula
C14H14N4O2
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Specification
Synonyms
Theophylline,7-benzyl; 7-Benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione; benzyl-7 dimethyl-1,3 xanthine; 7-benzyl-1,3-dimethyl-3,7-dihydropurine-2,6-dione; 7-benzyl-1,3-dimethylxanthine; 7-benzyltheophylline; N-Benzyl xanthine; 7-benzyl-3,7-dimethylx
IUPAC Name
7-benzyl-1,3-dimethylpurine-2,6-dione
Canonical SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=CC=C3
InChI Key
WXWQVDBZDNPNLZ-UHFFFAOYSA-N
Boiling Point
489.6ºC at 760 mmHg
Flash Point
249.9ºC
Density
1.33g/cm³
Exact Mass
270.11200
H-Bond Acceptor
3
H-Bond Donor
0
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