Compound Identification
SMILES
CC1=C[N+](CC2=CC=C(C=C2)N(CCCl)CCCl)=CC=C1
InChIKey
InChIKey=MICCTTUZZAUQFY-UHFFFAOYSA-N
Formula
C17H21Cl2N2
Mass
324.27
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
Dialkylarylamines Aniline and substituted anilines Methylpyridines Pyridinium derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrogen mustard - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Methylpyridine - Monocyclic benzene moiety - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Tertiary amine - Azacycle - Organoheterocyclic compound - Alkyl halide - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl chloride - Organopnictogen compound - Amine - Organic cation - Aromatic heteromonocyclic 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