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Structure

8-Methoxymethyl-3-isobutyl-1-methylxanthine

CAS
78033-08-6
Catalog Number
ACM78033086
Category
Other Products
Molecular Weight
266.3
Molecular Formula
C12H18N4O3

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Specification

Synonyms
Tocris-0552; 8-methoxymethyl-3-isobutyl-1-methylxanthine; 3-isobutyl-8-methoxymethyl-1-methylxanthine; Lopac-M-2547; 8-Methoxymethyl-IBMX;
IUPAC Name
8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
Canonical SMILES
CC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=N2)COC
InChI Key
NBLBCGUCPBXKOV-UHFFFAOYSA-N
Boiling Point
476.4ºC at 760 mmHg
Melting Point
189-190ºC
Flash Point
241.9ºC
Density
1.249g/cm³
Exact Mass
266.13800
H-Bond Acceptor
4
H-Bond Donor
1
WGK Germany
3
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