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

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Catalog Number
ACM5426904
Product Name
8-(2-Cyclohexylethyl)-1,3-dimethyl-7H-purine-2,6-dione
Structure
Structure
CAS
5426-90-4
Category
Heterocyclic Organic Compound
Synonyms
NSC14399, Theophylline, 8-(2-cyclohexylethyl)-, 8-(beta-Cyclohexylethyl)theophylline, NSC 14399, CID95037, 8-(.beta.-Cyclohexylethyl)theophylline, LS-149462, 5426-90-4
IUPAC Name
8-(2-cyclohexylethyl)-1,3-dimethyl-7H-purine-2,6-dione
Molecular Weight
290.361 g/mol
Molecular Formula
C15H22N4O2
Canonical SMILES
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCC3CCCCC3
InChI Key
VKORYKNVGDXUOK-UHFFFAOYSA-N
Boiling Point
525ºC at 760 mmHg
Flash Point
271.3ºC
Density
1.218g/cm³
Exact Mass
290.17400
H-Bond Acceptor
3
H-Bond Donor
1
MSDS
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COA
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Spec Sheet
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