Compound Identification
SMILES
[Cl-].CCCC(O)(CCC)C#CC[NH+](CCCl)CCCl
InChIKey
InChIKey=BOCBRWXRHBYRCZ-UHFFFAOYSA-N
Formula
C14H26Cl3NO
Mass
330.72
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
Ynones Tertiary alcohols Trialkylamines Organopnictogen compounds Organochlorides Organic zwitterions Organic chloride salts Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aliphatic acyclic compounds
Substituents
Nitrogen mustard - Ynone - Tertiary alcohol - Tertiary amine - Tertiary aliphatic amine - Alcohol - Organic zwitterion - Organic salt - Organic chloride salt - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Amine - Alkyl halide - Alkyl chloride - 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