Compound Identification
SMILES
[Br-].C[NH2+]C1=CC=C(C=C1)N(CCCl)CCCl
InChIKey
InChIKey=PYWUGLFMVMTLOX-UHFFFAOYSA-N
Formula
C11H17BrCl2N2
Mass
328.08
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
Phenylalkylamines Dialkylarylamines Aniline and substituted anilines Secondary alkylarylamines Organochlorides Organic bromide salts Hydrocarbon derivatives Alkyl chlorides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrogen mustard - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - Benzenoid - Monocyclic benzene moiety - Tertiary amine - Secondary amine - Organic salt - Alkyl halide - Organochloride - Organohalogen compound - Alkyl chloride - Amine - Organic bromide salt - Hydrocarbon derivative - Organic cation - 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