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Details

Stereochemistry MIXED
Molecular Formula C10H14N2O2
Molecular Weight 194.2304
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 1-ISOCYANATO-3-(ISOCYANATOMETHYL)-1-METHYLCYCLOHEXANE

SMILES

CC1(CCCC(CN=C=O)C1)N=C=O

InChI

InChIKey=KHXVVWQPIQVNRH-UHFFFAOYSA-N
InChI=1S/C10H14N2O2/c1-10(12-8-14)4-2-3-9(5-10)6-11-7-13/h9H,2-6H2,1H3

HIDE SMILES / InChI

Molecular Formula C10H14N2O2
Molecular Weight 194.2304
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 08:56:03 GMT 2025
Edited
by admin
on Wed Apr 02 08:56:03 GMT 2025
Record UNII
Q2DDJ86V7H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYCLOHEXANE, 1-ISOCYANATO-3-(ISOCYANATOMETHYL)-1-METHYL-
Preferred Name English
1-ISOCYANATO-3-(ISOCYANATOMETHYL)-1-METHYLCYCLOHEXANE
Systematic Name English
Code System Code Type Description
PUBCHEM
3022277
Created by admin on Wed Apr 02 08:56:03 GMT 2025 , Edited by admin on Wed Apr 02 08:56:03 GMT 2025
PRIMARY
CAS
93776-86-4
Created by admin on Wed Apr 02 08:56:03 GMT 2025 , Edited by admin on Wed Apr 02 08:56:03 GMT 2025
PRIMARY
FDA UNII
Q2DDJ86V7H
Created by admin on Wed Apr 02 08:56:03 GMT 2025 , Edited by admin on Wed Apr 02 08:56:03 GMT 2025
PRIMARY
EPA CompTox
DTXSID00918095
Created by admin on Wed Apr 02 08:56:03 GMT 2025 , Edited by admin on Wed Apr 02 08:56:03 GMT 2025
PRIMARY