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Structure

1,3,7-Trimethyl-8-(3-methylcyclohexyl)oxypurine-2,6-dione

CAS
73747-36-1
Catalog Number
ACM73747361
Category
Other Products
Molecular Weight
306.36 g/mol
Molecular Formula
C15H22N4O3

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Specification

Synonyms
8-((3-Methylcyclohexyl)oxy)caffeine, NSC106198, NSC 106198, CID52357, 8-[(3-Methylcyclohexyl)oxy]caffeine, CAFFEINE, 8-((3-METHYLCYCLOHEXYL)OXY)-, Caffeine, 8-[(3-methylcyclohexyl)oxy]-, LS-48595, 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-((3-methylcyclohexyl)oxy)-, 73747-36-1, 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-((3-methylcyclohexyl)oxy)- (9CI), 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-[(3-methylcyclohexyl)oxy]-
IUPAC Name
1,3,7-trimethyl-8-(3-methylcyclohexyl)oxypurine-2,6-dione
Canonical SMILES
CC1CCCC(C1)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C
InChI Key
IIVPOHXPTVEOOE-UHFFFAOYSA-N
Boiling Point
474ºC at 760 mmHg
Flash Point
240.5ºC
Density
1.37g/cm³
Exact Mass
306.16900
H-Bond Acceptor
4
H-Bond Donor
0
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