Compound Identification
SMILES
CC1=CC(N(CCCl)CCCl)=C(C)C=C1
InChIKey
InChIKey=UGSCYBIRSLWJGR-UHFFFAOYSA-N
Formula
C12H17Cl2N
Mass
246.18
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
p-Xylenes Dialkylarylamines Aniline and substituted anilines Organopnictogen compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrogen mustard - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Xylene - P-xylene - Benzenoid - Monocyclic benzene moiety - Tertiary amine - Alkyl halide - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Alkyl chloride - Organopnictogen compound - Aromatic homomonocyclic 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