CHEBI:82216 - Diallat

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ChEBI Name Diallat
ChEBI ID CHEBI:82216
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C10H17Cl2NOS
Net Charge 0
Average Mass 270.21900
Monoisotopic Mass 269.04079
InChI InChI=1S/C10H17Cl2NOS/c1-7(2)13(8(3)4)10(14)15-6-9(12)5-11/h5,7-8H,6H2,1-4H3/b9-5-
InChIKey SPANOECCGNXGNR-UITAMQMPSA-N
SMILES CC(C)N(C(C)C)C(=O)SC\C(Cl)=C\Cl
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing Diallat (CHEBI:82216) is a tertiary amine (CHEBI:32876)
Synonym Source
Di-allate KEGG COMPOUND
Manual Xref Database
C19094 KEGG COMPOUND
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Registry Number Type Source
2303-16-4 CAS Registry Number KEGG COMPOUND