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Structure

3-(2-Furanylmethyl)-3,7-dihydro-1,8-dimethyl-1H-purine-2,6-dione

CAS
80288-49-9
Catalog Number
ACM80288499
Category
Other Products
Molecular Weight
260.25
Molecular Formula
C12H12N4O3

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Specification

Synonyms
Furafylline; 3-Furfuryl-1,8-dimethylxanthine;
IUPAC Name
3-(furan-2-ylmethyl)-1,8-dimethyl-7H-purine-2,6-dione
Canonical SMILES
CC1=NC2=C(N1)C(=O)N(C(=O)N2CC3=CC=CO3)C
InChI Key
KGQZGCIVHYLPBH-UHFFFAOYSA-N
Boiling Point
504.8ºC at 760 mmHg
Flash Point
259.1ºC
Density
1.34g/cm³
Exact Mass
260.09100
H-Bond Acceptor
4
H-Bond Donor
1
WGK Germany
3
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