7-Butyl-1,3-dimethylpurine-2,6-dione

Catalog Number

ACM1021654

Product Name

7-Butyl-1,3-dimethylpurine-2,6-dione

Structure

CAS

1021-65-4

Category

Heterocyclic Organic Compound

Synonyms

7-Butyltheophylline, Theophylline, 7-butyl-, MLS000027070, STOCK1S-68522, BRN 0250158, MolPort-001-833-666, CID70557, STK839296, ZINC13110598, BAS 01547068, SMR000010659, LS-149431, 7-Butyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione, 4-26-00-02349 (Beilstein Handbook Reference), 3,7-Dihydro-7-butyl-1,3-dimethyl-1H-purine-2,6-dione, 7-butyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 1H-Purine-2,6-dione, 3,7-dihydro-7-butyl-1,3-dimethyl-, 1H-Purine-2,6-dione, 3,7-dihydro-7-butyl-1,3-dimethyl- (9CI), 1021-65-4

IUPAC Name

7-butyl-1,3-dimethylpurine-2,6-dione

Molecular Weight

236.27 g/mol

Molecular Formula

C₁₁H₁₆N₄O₂

Canonical SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI Key

CPRWWXKLQNLTSZ-UHFFFAOYSA-N

Boiling Point

432.4ºC at 760 mmHg

Flash Point

215.3ºC

Density

1.29g/cm³

Exact Mass

236.12700

H-Bond Acceptor

3

H-Bond Donor

0

MSDS

COA

Spec Sheet