Compound Identification
SMILES
[Co+3].CC(C(C)=O)C(C)=O.CC(C(C)=O)C(C)=O.NCCN(CCCl)CCCl
InChIKey
InChIKey=NIFAITMFMIHVRZ-UHFFFAOYSA-N
Formula
C18H34Cl2CoN2O4
Mass
472.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic nitrogen compounds
-
Class
Organonitrogen compounds
- Subclass Nitrogen mustard compounds
-
Class
Organonitrogen compounds
-
Superclass
Organic nitrogen compounds
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Nitrogen mustard compounds
Intermediate Tree Nodes
Not available
Direct Parent
Nitrogen mustard compounds
Alternative Parents
Beta-diketones Trialkylamines Ketones Organic metal halides Organochlorides Organic oxides Organic cobalt salts Monoalkylamines Hydrocarbon derivatives Alkyl chlorides Organic cations
Molecular Framework
Not available
Substituents
Nitrogen mustard - 1,3-diketone - 1,3-dicarbonyl compound - Ketone - Tertiary amine - Tertiary aliphatic amine - Organic transition metal salt - Organic metal halide - Hydrocarbon derivative - Organic oxide - Alkyl halide - Alkyl chloride - Primary amine - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Primary aliphatic amine - Carbonyl group - Amine - Organic cobalt salt - Organic cation - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as nitrogen mustard compounds. These are compounds having two beta-haloalkyl groups bound to a nitrogen atom.
External Descriptors
Not available