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CHEBI:82178 - Diethatyl-ethyl

ChEBI IDCHEBI:82178
ChEBI NameDiethatyl-ethyl
Stars
Last Modified8 January 2015
DownloadsMolfile
FormulaC16H22ClNO3
Net Charge0
Average Mass311.809
Monoisotopic Mass311.12882
SMILESCCOC(=O)CN(C(=O)CCl)c1c(CC)cccc1CC
InChIInChI=1S/C16H22ClNO3/c1-4-12-8-7-9-13(5-2)16(12)18(14(19)10-17)11-15(20)21-6-3/h7-9H,4-6,10-11H2,1-3H3
InChIKeyWFKSADNZWSKCRZ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Diethatyl-ethyl (CHEBI:82178) is a tertiary amino compound (CHEBI:50996)
Manual XrefsDatabases
C19051KEGG COMPOUND
2132PPDB
Registry NumbersSources
CAS:38727-55-8KEGG COMPOUND