Structure

Guaifylline

CAS
5634-38-8
Catalog Number
ACM5634388
Category
Other Products
Molecular Weight
378.38 g/mol
Molecular Formula
C10H14O4.C7H8N4O2

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Specification

Synonyms
Guaithylline, Guaifylline, Guaifilina, Guaifyllinum, Guaifylline (INN), Guaithylline (USAN), Guaifilina [INN-Spanish], Guaifyllinum [INN-Latin], CID68637, EINECS 227-078-0, D04374, 5634-38-8
IUPAC Name
1,3-dimethyl-7H-purine-2,6-dione; 3-(2-methoxyphenoxy)propane-1,2-diol
Canonical SMILES
CN1C2=C(C(=O)N(C1=O)C)NC=N2.COC1=CC=CC=C1OCC(CO)O
InChI Key
PVKUHCBHOUMGJN-UHFFFAOYSA-N
Boiling Point
356.8ºC at 760mmHg
Flash Point
169.6ºC
EC Number
227-078-0
Exact Mass
378.15400
H-Bond Acceptor
7
H-Bond Donor
3
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