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Structure

8-Ethoxycaffeine

CAS
577-66-2
Catalog Number
ACM577662
Category
Other Products
Molecular Weight
238.24
Molecular Formula
C10H14N4O3

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Specification

Synonyms
8-ETHOXYCAFFEINE;SALOR-INT L158003-1EA;8-ethoxy-3,7-dihydro-1,3,7-trimethyl-1h-purine-6-dione;8-ethoxy-caffein;3,7-Dihydro-8-ethoxy-1,3,7-trimethyl-1H-purine-2,6-dione;8-Ethoxy-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione;EOC;8-ethoxy-1,3,7-trimethyl-
IUPAC Name
8-ethoxy-1,3,7-trimethylpurine-2,6-dione
Canonical SMILES
CCOC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C
InChI Key
LCYXNYNRVOBSHK-UHFFFAOYSA-N
Boiling Point
402.5ºC at 760mmHg
Flash Point
197.2ºC
Density
1.39g/cm³
Exact Mass
238.10700
H-Bond Acceptor
4
H-Bond Donor
0
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