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5426-72-2

5426-72-2 structure
5426-72-2 structure
  • Name: 8-(.beta.-Diethylaminoethoxy)caffeine
  • Chemical Name: 8-[2-(diethylamino)ethoxy]-1,3,7-trimethylpurine-2,6-dione
  • CAS Number: 5426-72-2
  • Molecular Formula: C14H23N5O3
  • Molecular Weight: 309.36400
  • Create Date: 2017-07-20 19:50:45
  • Modify Date: 2024-01-08 07:45:08

Name 8-[2-(diethylamino)ethoxy]-1,3,7-trimethylpurine-2,6-dione
Synonyms 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
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

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
HS Code 2933990090

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5426-72-2 structure

5426-72-2

Literature: Klosa Journal fuer Praktische Chemie (Leipzig), 1958 , vol. <4>6, p. 8,10 Full Text Show Details Bristol Labor.Inc. Patent: US2688618 , 1952 ;

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5426-72-2 structure

5426-72-2

Literature: Temmler-Werke Patent: DE669989 , 1936 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 24, p. 396
Precursor  3

DownStream  0

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%