1H-Purine-2,6-dione,8-(dimethylamino)-3,9-dihydro-1,3-dimethyl-

Modify Date: 2024-01-02 16:58:05

1H-Purine-2,6-dione,8-(dimethylamino)-3,9-dihydro-1,3-dimethyl- Structure
1H-Purine-2,6-dione,8-(dimethylamino)-3,9-dihydro-1,3-dimethyl- structure
Common Name 1H-Purine-2,6-dione,8-(dimethylamino)-3,9-dihydro-1,3-dimethyl-
CAS Number 5426-47-1 Molecular Weight 223.23200
Density 1.387g/cm3 Boiling Point 418.8ºC at 760 mmHg
Molecular Formula C9H13N5O2 Melting Point N/A
MSDS N/A Flash Point 207.1ºC

 Names

Name 8-(dimethylamino)-1,3-dimethyl-7H-purine-2,6-dione
Synonym More Synonyms

 Chemical & Physical Properties

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

 Toxicological Information

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

 Safety Information

HS Code 2933990090

 Precursor & DownStream

Precursor  0

DownStream  1

 Customs

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%

 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