Compound Identification
SMILES
C1CO1.CC1CO1.CC1CNCCN1.CC1=C(C=CC=C1N=C=O)N=C=O
InChIKey
InChIKey=NEPYASGUGYAOOO-UHFFFAOYSA-N
Formula
C19H28N4O4
Mass
376.457
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
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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
Piperazines Isocyanates Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Epoxides Dialkylamines Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Toluene diisocyanate - 1,4-diazinane - Piperazine - Isocyanate - Dialkyl ether - Secondary aliphatic amine - Oxirane - Ether - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Oxacycle - Organooxygen compound - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Amine - Organic oxide - Organic oxygen compound - Organonitrogen compound - Hydrocarbon derivative - 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