8-Methoxycaffeine

CAS

569-34-6

Catalog Number

ACM569346

Category

Other Products

Molecular Weight

224.217 g/mol

Molecular Formula

C9H12N4O3

MSDS COA Spec Sheet

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Specification

Synonyms

Methoxycaffeine, 8-Methoxycaffeine, CAFFEINE, 8-METHOXY-, NSC 8808, 8-Methoxy-1,3,7-trimethylxanthine, EINECS 209-312-3, NSC8808, MolPort-004-021-662, HMS1757C06, CID11286, BRN 0384756, LS-48593, 5-26-15-00080 (Beilstein Handbook Reference), 1H-Purine-2,6-dione, 3,7-dihydro-8-methoxy-1,3,7-trimethyl-, 8-Methoxy-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione, 1H-Purine-2,6-dione, 3,7-dihydro-8-methoxy-1,3,7-trimethyl- (9CI), 569-34-6

IUPAC Name

8-methoxy-1,3,7-trimethylpurine-2,6-dione

Canonical SMILES

CN1C2=C(N=C1OC)N(C(=O)N(C2=O)C)C

InChI Key

ATPSJRIIRXKPER-UHFFFAOYSA-N

Boiling Point

395.3ºC at 760 mmHg

Flash Point

192.8ºC

Density

1.44g/cm³