3,7-Dihydro-7-(4-aminophenyl)-1,3-dimethyl-1H-purine-2,6-dione

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Names

[ CAS No. ]:
963-48-4

[ Name ]:
3,7-Dihydro-7-(4-aminophenyl)-1,3-dimethyl-1H-purine-2,6-dione

[Synonym ]:
7-<p-Amino-phenyl>-theophyllin
7-<p-Amino-phenyl>-8-chlor-theophyllin

Chemical & Physical Properties

[ Density]:
1.48g/cm3

[ Boiling Point ]:
528.1ºC at 760 mmHg

[ Molecular Formula ]:
C13H13N5O2

[ Molecular Weight ]:
271.27500

[ Flash Point ]:
273.2ºC

[ Exact Mass ]:
271.10700

[ PSA ]:
87.84000

[ LogP ]:
0.58630

[ Index of Refraction ]:
1.728

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UO8409700
CHEMICAL NAME :
1H-Purine-2,6-dione, 3,7-dihydro-7-(4-aminophenyl)-1,3-dimethyl-
CAS REGISTRY NUMBER :
963-48-4
BEILSTEIN REFERENCE NO. :
0562232
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H13-N5-O2
MOLECULAR WEIGHT :
271.31

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
75 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 34,890,1979

Related Compounds

  • 3-(1-Cyclopentyl-1H-pyrazol-3-yl)propiolic acid
  • 3-(1-(2,2,2-Trifluoroethyl)-1H-pyrazol-3-yl)propiolic acid
  • 3-ethynyl-1-(propan-2-yl)-1H-pyrazole
  • 3-Iodo-5-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole
  • 3-iodo-1-isobutyl-1{H}-pyrazole
  • 1-Cyclopentyl-3-iodo-1{h}-pyrazole
  • 1-Ethyl-5-methyl-1H-pyrazole-3-sulfonyl chloride
  • 1-Isopropyl-5-methyl-1H-pyrazole-3-sulfonyl chloride
  • 1-Cyclopentyl-5-methyl-1H-pyrazole-3-sulfonyl chloride
  • 3-Bromo-1-isopropyl-5-methyl-1H-pyrazole
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