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5426-47-1

5426-47-1 structure
5426-47-1 structure

Name 8-(dimethylamino)-1,3-dimethyl-7H-purine-2,6-dione
Synonyms 8-dimethylamino-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
Theophylline,8-(dimethylamino)
8-Dimethylaminotheophylline
8-dimethylamino-1,3-dimethyl-3,7(9)-dihydro-purine-2,6-dione
8-Dimethylamino-theophyllin
8-(dimethylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
1H-Purine-2,6-dione,8-(dimethylamino)-3,7-dihydro-1,3-dimethyl
8-Dimethylamino-1,3-dimethyl-3,7-dihydro-purin-2,6-dion
Density 1.387g/cm3
Boiling Point 418.8ºC at 760 mmHg
Molecular Formula C9H13N5O2
Molecular Weight 223.23200
Flash Point 207.1ºC
Exact Mass 223.10700
PSA 75.92000
Index of Refraction 1.632

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5110000
CHEMICAL NAME :
Theophylline, 8-(dimethylamino)-
CAS REGISTRY NUMBER :
5426-47-1
LAST UPDATED :
198105
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H13-N5-O2
MOLECULAR WEIGHT :
223.27
WISWESSER LINE NOTATION :
T56 BM DN FNVNVJ CN1&1 F1 H1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04369
HS Code 2933990090
Precursor  0

DownStream  1

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%