Compound Identification
SMILES
[Cl-].NN1C=NN=C1N\N=C\C1=CC=C(C=C1)[NH+](CCCl)CCCl
InChIKey
InChIKey=AFRFJJXOHDRSTB-WWIHJBQESA-N
Formula
C13H18Cl3N7
Mass
378.69
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 Aniline and substituted anilines Triazoles Heteroaromatic compounds Hydrazones Azacyclic compounds Organochlorides Organic zwitterions Organic chloride salts Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrogen mustard - Aniline or substituted anilines - Phenylalkylamine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - 1,2,4-triazole - Azole - Organoheterocyclic compound - Hydrazone - Azacycle - Organic salt - Alkyl halide - Organic zwitterion - Organochloride - Organohalogen compound - Hydrocarbon derivative - Alkyl chloride - Amine - Organic chloride salt - 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