8-(4-Chloroanilino)-1,3-dimethyl-7H-purine-2,6-dione

Catalog Number

ACM5434628

Product Name

8-(4-Chloroanilino)-1,3-dimethyl-7H-purine-2,6-dione

Structure

CAS

5434-62-8

Category

Heterocyclic Organic Compound

Synonyms

8-(p-Chlorophenylamino)theophylline, Theophylline, 8-(p-chloroanilino)-, NSC14126, NSC 14126, CID95027, BRN 1224805, LS-149442, 5434-62-8, 1H-Purine-2,6-dione, 8-((4-chlorophenyl)amino)-3,7-dihydro-1,3-dimethyl-, 1H-Purine-2,6-dione, 8-((4-chlorophenyl)amino)-3,7-dihydro-1,3-dimethyl- (9CI), 1H-Purine-2,6-dione, 8-[(4-chlorophenyl)amino]-3,7-dihydro-1,3-dimethyl-

IUPAC Name

8-(4-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=C(C=C3)Cl

InChI Key

GYRLUTTZCNHKNY-UHFFFAOYSA-N

Boiling Point

537.7ºC at 760 mmHg

Flash Point

279ºC

Density

1.521g/cm³

Exact Mass

305.06800

H-Bond Acceptor

4

H-Bond Donor

2

MSDS

COA

Spec Sheet