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Structure

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

CAS
5434-62-8
Catalog Number
ACM5434628
Category
Other Products
Molecular Weight
305.72 g/mol
Molecular Formula
C13H12ClN5O2

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Specification

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
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
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