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

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Catalog Number
ACM74039693
Product Name
8-(Cyclohexen-1-ylmethyl)-1,3-dimethyl-7H-purine-2,6-dione
Structure
Structure
CAS
74039-69-3
Category
Heterocyclic Organic Compound
Synonyms
NSC106216, 8-(1-Cyclohexen-1-ylmethyl)theophylline, NSC 106216, Theophylline, 8-(1-cyclohexen-1-ylmethyl)-, CID97208, LS-149460, 1H-Purine-2,6-dione, 8-(1-cyclohexen-1-ylmethyl)-3,7-dihydro-1,3-dimethyl-, 74039-69-3, 1H-Purine-2,6-dione, 8-(1-cyclohexen-1-ylmethyl)-3,7-dihydro-1,3-dimethyl- (9CI)
IUPAC Name
8-(cyclohexen-1-ylmethyl)-1,3-dimethyl-7H-purine-2,6-dione
Molecular Weight
274.318 g/mol
Molecular Formula
C14H18N4O2
Canonical SMILES
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CC3=CCCCC3
InChI Key
VVXQBRAMOXSDLG-UHFFFAOYSA-N
Boiling Point
515.5ºC at 760 mmHg
Flash Point
265.6ºC
Density
1.309g/cm³
Exact Mass
274.14300
H-Bond Acceptor
3
H-Bond Donor
1
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