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Structure Information
Structure

Compound Identification

SMILES

[Cl-].CCCC(O)(CCC)C#CC[NH+](CCCl)CCCl

InChIKey

InChIKey=BOCBRWXRHBYRCZ-UHFFFAOYSA-N

Formula

C14H26Cl3NO

Mass

330.72

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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

Aliphatic acyclic compounds

Substituents

Nitrogen mustard - Ynone - Tertiary alcohol - Tertiary amine - Tertiary aliphatic amine - Alcohol - Organic zwitterion - Organic salt - Organic chloride salt - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Amine - Alkyl halide - Alkyl chloride - Aliphatic acyclic 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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