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CHEBI:31492 - Diisopropylamine dichloroacetate

ChEBI IDCHEBI:31492
ChEBI NameDiisopropylamine dichloroacetate
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC2H2Cl2O2.C6H15N
Net Charge0
Average Mass230.135
Monoisotopic Mass229.06363
SMILESCC(C)NC(C)C.O=C(O)C(Cl)Cl
InChIInChI=1S/C6H15N.C2H2Cl2O2/c1-5(2)7-6(3)4;3-1(4)2(5)6/h5-7H,1-4H3;1H,(H,5,6)
InChIKeyILKBHIBYKSHTKQ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Diisopropylamine dichloroacetate (CHEBI:31492) is a carboxylic acid (CHEBI:33575)
Diisopropylamine dichloroacetate (CHEBI:31492) is a organohalogen compound (CHEBI:17792)
Synonym  Source
Diisopropylamine dichloroacetateKEGG COMPOUND
Manual XrefsDatabases
D01816KEGG DRUG
Registry NumbersSources
CAS:660-27-5KEGG COMPOUND