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Details

Stereochemistry RACEMIC
Molecular Formula C17H23N2O3
Molecular Weight 303.3761
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge -1

SHOW SMILES / InChI
Structure of 2-ETHYLHEXYL(5-ISOCYANATO-4-METHYLPHENYL)CARBAMATE

SMILES

CCCCC(CC)CN(C([O-])=O)C1=CC=C(C)C(=C1)N=C=O

InChI

InChIKey=XQGSKUHWNFPGSZ-UHFFFAOYSA-M
InChI=1S/C17H24N2O3/c1-4-6-7-14(5-2)11-19(17(21)22)15-9-8-13(3)16(10-15)18-12-20/h8-10,14H,4-7,11H2,1-3H3,(H,21,22)/p-1

HIDE SMILES / InChI

Molecular Formula C17H24N2O3
Molecular Weight 304.3841
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:54:59 GMT 2025
Edited
by admin
on Tue Apr 01 19:54:59 GMT 2025
Record UNII
030F3HKK17
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-ETHYLHEXYL(5-ISOCYANATO-4-METHYLPHENYL)CARBAMATE
Preferred Name English
Code System Code Type Description
FDA UNII
030F3HKK17
Created by admin on Tue Apr 01 19:54:59 GMT 2025 , Edited by admin on Tue Apr 01 19:54:59 GMT 2025
PRIMARY
PUBCHEM
165411921
Created by admin on Tue Apr 01 19:54:59 GMT 2025 , Edited by admin on Tue Apr 01 19:54:59 GMT 2025
PRIMARY
Related Record Type Details
IONIC MOIETY