8-[4-(1H-benzoimidazol-2-yl)butyl]-1,3-dimethyl-7H-purine-2,6-dione

Modify Date: 2025-08-31 20:20:24

8-[4-(1H-benzoimidazol-2-yl)butyl]-1,3-dimethyl-7H-purine-2,6-dione Structure
8-[4-(1H-benzoimidazol-2-yl)butyl]-1,3-dimethyl-7H-purine-2,6-dione structure
 Common Name 8-[4-(1H-benzoimidazol-2-yl)butyl]-1,3-dimethyl-7H-purine-2,6-dione
CAS Number 74039-64-8 Molecular Weight 352.39000
Density 1.381g/cm3 Boiling Point 718.4ºC at 760 mmHg
Molecular Formula C18H20N6O2 Melting Point N/A
MSDS N/A Flash Point 388.3ºC

 Names

Name 8-[4-(1H-benzimidazol-2-yl)butyl]-1,3-dimethyl-7H-purine-2,6-dione

 Chemical & Physical Properties

Density 1.381g/cm3
Boiling Point 718.4ºC at 760 mmHg
Molecular Formula C18H20N6O2
Molecular Weight 352.39000
Flash Point 388.3ºC
Exact Mass 352.16500
PSA 101.36000
LogP 1.40200
Index of Refraction 1.683

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH4600000
CHEMICAL NAME :
Theophylline, 8-(4-(2-benzimidazolyl)butyl)-
CAS REGISTRY NUMBER :
74039-64-8
LAST UPDATED :
198812
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C18-H20-N6-O2
MOLECULAR WEIGHT :
352.44
WISWESSER LINE NOTATION :
T56 BM DN FNVNVJ F1 H1 C4- CT56 BM DNJ

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 :
56 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#02452
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Chemsrc provides CAS#:74039-64-8 MSDS, density, melting point, boiling point, structure, etc. Its name is 8-[4-(1H-benzoimidazol-2-yl)butyl]-1,3-dimethyl-7H-purine-2,6-dione>> amp version: 8-[4-(1H-benzoimidazol-2-yl)butyl]-1,3-dimethyl-7H-purine-2,6-dione

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