8-(2-Chloroanilino)-1,3-dimethyl-7H-purine-2,6-dione

Catalog Number

ACM5429345

Product Name

8-(2-Chloroanilino)-1,3-dimethyl-7H-purine-2,6-dione

Structure

CAS

5429-34-5

Category

Heterocyclic Organic Compound

Synonyms

8-(o-Chloroanilino)theophylline, 8-(o-Chlorophenylamino)theophylline, Theophylline, 8-(o-chloroanilino)-, NSC14125, NSC 14125, CID95026, LS-149441, 5429-34-5, 1H-Purine-2,6-dione, 8-((2-chlorophenyl)amino)-3,7-dihydro-1,3-dimethyl-, 1H-Purine-2,6-dione, 8-((2-chlorophenyl)amino)-3,7-dihydro-1,3-dimethyl- (9CI), 1H-Purine-2,6-dione, 8-[(2-chlorophenyl)amino]-3,7-dihydro-1,3-dimethyl-

IUPAC Name

8-(2-chloroanilino)-1,3-dimethyl-7H-purine-2,6-dione

Molecular Weight

305.72 g/mol

Molecular Formula

C₁₃H₁₂ClN₅O₂

Canonical SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NC3=CC=CC=C3Cl

InChI Key

WNYQXOIYVOXWAJ-UHFFFAOYSA-N

Boiling Point

532.4ºC at 760 mmHg

Flash Point

275.8ºC

Density

1.521g/cm³

Exact Mass

305.06800

H-Bond Acceptor

4

H-Bond Donor

2

MSDS

COA

Spec Sheet