3-Methyl-7-propylxanthine

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Catalog Number

ACM55242643

Product Name

Structure

CAS

55242-64-3

Category

Heterocyclic Organic Compound

Synonyms

3-Methyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione

Molecular Weight

208.22

Molecular Formula

C9H12N4O2

InChI

InChI=1S/C9H12N4O2/c1-3-4-13-5-10-7-6(13)8(14)11-9(15)12(7)2/h5H,3-4H2,1-2H3,(H,11,14,15)

InChI Key

MHNVSFOURBQRPK-UHFFFAOYSA-N

Melting Point

250-252 °C

Complexity

294

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Exact Mass

208.09602564

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Monoisotopic Mass

208.09602564

Physical State

Solid

Rotatable Bond Count

Topological Polar Surface Area

67.2 Å²

MSDS

COA

Spec Sheet

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