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Substance Name: Caffeine, 8-(2-(diethylamino)ethoxy)-
RN: 5426-72-2
InChIKey: CJFBPYHVVXKJQQ-UHFFFAOYSA-N

Molecular Formula

  • C14-H23-N5-O3

Molecular Weight

  • 309.368
 
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Names and Synonyms

Synonyms

  • 4-26-00-02729 (Beilstein Handbook Reference)
  • 8-(beta-Diethylaminoethoxy)caffeine
  • BRN 0318614
  • Caffeine, 8-(2-(diethylamino)ethoxy)-
  • NSC 14317

Systematic Name

  • Caffeine, 8-(2-(diethylamino)ethoxy)-

Registry Numbers

CAS Registry Number

  • 5426-72-2

System Generated Number

  • 0005426722

Structure Descriptors

InChI

1S/C14H23N5O3/c1-6-19(7-2)8-9-22-13-15-11-10(16(13)3)12(20)18(5)14(21)17(11)4/h6-9H2,1-5H3

InChIKey

CJFBPYHVVXKJQQ-UHFFFAOYSA-N

Smiles

c12c(nc(n1C)OCCN(CC)CC)n(c(=O)n(c2=O)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04353,