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Details

Stereochemistry RACEMIC
Molecular Formula C8H12N2O2
Molecular Weight 168.1931
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 1,5-Diisocyanato-2-methylpentane

SMILES

CC(CCCN=C=O)CN=C=O

InChI

InChIKey=AHBNSOZREBSAMG-UHFFFAOYSA-N
InChI=1S/C8H12N2O2/c1-8(5-10-7-12)3-2-4-9-6-11/h8H,2-5H2,1H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
2-Methylpentamethylene diisocyanate
Preferred Name English
1,5-Diisocyanato-2-methylpentane
Systematic Name English
Pentane,1,5-diisocyanato-2-methyl-
Systematic Name English
2-Methylpentane diisocyanate
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80956293
Created by admin on Wed Apr 02 20:19:28 GMT 2025 , Edited by admin on Wed Apr 02 20:19:28 GMT 2025
PRIMARY
PUBCHEM
3343484
Created by admin on Wed Apr 02 20:19:28 GMT 2025 , Edited by admin on Wed Apr 02 20:19:28 GMT 2025
PRIMARY
FDA UNII
U5S4TQ476V
Created by admin on Wed Apr 02 20:19:28 GMT 2025 , Edited by admin on Wed Apr 02 20:19:28 GMT 2025
PRIMARY
CAS
34813-62-2
Created by admin on Wed Apr 02 20:19:28 GMT 2025 , Edited by admin on Wed Apr 02 20:19:28 GMT 2025
PRIMARY
NIH
NCATS
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