Compound Identification
SMILES
[Cl-].C[NH+](CCC1OCCO1)CCC(=O)C1CCCCC1
InChIKey
InChIKey=LROLETJPXAKBOA-UHFFFAOYSA-N
Formula
C15H28ClNO3
Mass
305.84
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
- Level 6 Beta-amino ketones
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Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones
Direct Parent
Beta-amino ketones
Alternative Parents
1,3-dioxolanes Trialkylamines Oxacyclic compounds Acetals Organopnictogen compounds Organic zwitterions Organic oxides Organic chloride salts Hydrocarbon derivatives Aldehydes
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Beta-aminoketone - Meta-dioxolane - Tertiary amine - Tertiary aliphatic amine - Acetal - Oxacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic salt - Organic zwitterion - Organic chloride salt - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Amine - Aldehyde - Organopnictogen compound - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as beta-amino ketones. These are ketones containing a carboxylic acid, and an amine group attached to the beta carbon atom, relative to the C=O group.
External Descriptors
Not available