8-Cyclohex-3-en-1-yl-1,3-dimethyl-7H-purine-2,6-dione

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Catalog Number
ACM74039682
Product Name
8-Cyclohex-3-en-1-yl-1,3-dimethyl-7H-purine-2,6-dione
Structure
Structure
CAS
74039-68-2
Category
Heterocyclic Organic Compound
Synonyms
8-(3-Cyclohexen-1-yl)theophylline, MLS002703887, Theophylline, 8-(3-cyclohexen-1-yl)-, NSC106214, NSC 106214, CID97207, SMR001570601, LS-149459, 1H-Purine-2,6-dione, 8-(3-cyclohexen-1-yl)-3,7-dihydro-1,3-dimethyl-, 74039-68-2, 1H-Purine-2,6-dione, 8-(3-cyclohexen-1-yl)-3,7-dihydro-1,3-dimethyl- (9CI)
IUPAC Name
8-cyclohex-3-en-1-yl-1,3-dimethyl-7H-purine-2,6-dione
Molecular Weight
260.292 g/mol
Molecular Formula
C13H16N4O2
Canonical SMILES
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3CCC=CC3
InChI Key
VUVQIGQQUJUTRY-UHFFFAOYSA-N
Boiling Point
524ºC at 760 mmHg
Flash Point
270.7ºC
Density
1.318g/cm³
Exact Mass
260.12700
H-Bond Acceptor
3
H-Bond Donor
1
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