Compound Identification
SMILES
O=C1CCCCCN1.CC1=C(C=CC=C1N=C=O)N=C=O
InChIKey
InChIKey=MMTVMMWPTIRCGX-UHFFFAOYSA-N
Formula
C15H17N3O3
Mass
287.319
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Toluenes
- Level 5 Toluene diisocyanates
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Subclass
Toluenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Not available
Direct Parent
Toluene diisocyanates
Alternative Parents
Caprolactams Azepanes Secondary carboxylic acid amides Isocyanates Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Toluene diisocyanate - Caprolactam - Azepane - Carboxamide group - Isocyanate - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as toluene diisocyanates. These are organic compounds containing a benzene ring, which is substituted by a methyl group and two isocyanate groups.
External Descriptors
Not available