Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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