8-(.beta.-Diethylaminoethoxy)caffeine

Names

[ Name ]:
8-(.beta.-Diethylaminoethoxy)caffeine

[Synonym ]:
Caffeine,8-[2-(diethylamino)ethoxy]
8-(2-Diaethylamino-aethoxy)-1,3,7-trimethyl-3,7-dihydro-purin-2,6-dion
8-(2-diethylamino-ethoxy)-1,3,7-trimethyl-3,7-dihydro-purine-2,6-dione

Chemical & Physical Properties

[ Density]:
1.25g/cm3

[ Boiling Point ]:
457.7ºC at 760 mmHg

[ Molecular Formula ]:
C₁₄H₂₃N₅O₃

[ Molecular Weight ]:
309.36400

[ Flash Point ]:
230.6ºC

[ Exact Mass ]:
309.18000

[ PSA ]:
74.29000

[ Index of Refraction ]:
1.591

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: EV6504000

CHEMICAL NAME :: Caffeine, 8-(2-(diethylamino)ethoxy)-

CAS REGISTRY NUMBER :: 5426-72-2

BEILSTEIN REFERENCE NO. :: 0318614

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C14-H23-N5-O3

MOLECULAR WEIGHT :: 309.42

WISWESSER LINE NOTATION :: T56 BN DN FNVNVJ B1 CO2N2&2 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 :: 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#04353

Safety Information

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

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%