8-Butyl-1,3-dimethyl-7H-purine-2,6-dione

Catalog Number

ACM35873406

Product Name

8-Butyl-1,3-dimethyl-7H-purine-2,6-dione

Structure

CAS

35873-40-6

Category

Heterocyclic Organic Compound

Synonyms

8-Butyltheophylline, Theophylline, 8-butyl-, Xanthine, 8-butyl-1,3-dimethyl-, NSC14116, NSC 14116, CID95025, BRN 0235783, LS-149432, 4-26-00-02478 (Beilstein Handbook Reference), 8-Butyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, 1H-Purine-2,6-dione, 8-butyl-3,7-dihydro-1,3-dimethyl-, 1H-Purine-2,6-dione, 8-butyl-3,7-dihydro-1,3-dimethyl- (9CI), 35873-40-6

IUPAC Name

8-butyl-1,3-dimethyl-7H-purine-2,6-dione

Molecular Weight

236.27 g/mol

Molecular Formula

C₁₁H₁₆N₄O₂

Canonical SMILES

CCCCC1=NC2=C(N1)C(=O)N(C(=O)N2C)C

InChI Key

VPISOLDSBFMXDM-UHFFFAOYSA-N

Boiling Point

468.6ºC at 760 mmHg

Flash Point

237.2ºC

Density

1.251g/cm³

Exact Mass

236.12700

H-Bond Acceptor

3

H-Bond Donor

1

MSDS

COA

Spec Sheet