Compound Identification
SMILES
[Cl-].ClCC[NH+](CCCl)CC1=CC=CO1
InChIKey
InChIKey=HDBBZNRMEHOOQP-UHFFFAOYSA-N
Formula
C9H14Cl3NO
Mass
258.57
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
Aralkylamines Heteroaromatic compounds Furans Trialkylamines Oxacyclic compounds Organopnictogen compounds Organooxygen compounds Organochlorides Organic chloride salts Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrogen mustard - Aralkylamine - Furan - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Organic salt - Alkyl halide - Alkyl chloride - Organooxygen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - 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