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Structure

1-methyl-3-propyl-7H-purine-2,6-dione

CAS
118024-67-2
Catalog Number
ACM118024672
Category
Other Products
Molecular Weight
208.217 g/mol
Molecular Formula
C9H12N4O2

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Specification

Synonyms
1-methyl-3-n-propylxanthine; Xanthine,1-methyl-3-propyl; 1H-Purine-2,6-dione,3,7-dihydro-1-methyl-3-propyl; 1-Methyl-3-propylxanthine;
IUPAC Name
1-methyl-3-propyl-7H-purine-2,6-dione
Canonical SMILES
CCCN1C2=C(C(=O)N(C1=O)C)NC=N2
InChI Key
MCPROACZLSAAPY-UHFFFAOYSA-N
Boiling Point
450.7ºC at 760 mmHg
Flash Point
226.4ºC
Density
1.326g/cm³
Exact Mass
208.09600
H-Bond Acceptor
3
H-Bond Donor
1
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