CAS
54268-71-2 Purity
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54268-71-2 Purity
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![1H-Pyrrole-2,4-dicarboxylicacid,5-[[2-(aminocarbonyl)hydrazinylidene]methyl]-3-methyl-,2,4-diethyl ester](https://resource.alfa-chemistry.com/structure/5427-17-8.gif)
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8-(2-Cyclohexylethyl)-1,3-dimethyl-7H-purine-2,6-dione
CAS
5426-90-4
Catalog Number
ACM5426904
Category
Other Products
Molecular Weight
290.361 g/mol
Molecular Formula
C15H22N4O2
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Specification
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
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
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CAS
5426-89-1 Purity
96%
5426-89-1 Purity
96%
