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Details

Stereochemistry RACEMIC
Molecular Formula C17H24N2O3
Molecular Weight 304.3841
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-(3-ISOCYANATO-4-METHYLPHENYL)-2-ETHYLHEXYL CARBAMATE

SMILES

CCCCC(CC)COC(=O)NC1=CC(N=C=O)=C(C)C=C1

InChI

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

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 16:46:55 GMT 2025
Edited
by admin
on Tue Apr 01 16:46:55 GMT 2025
Record UNII
W1TLC15A9C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(5-ISOCYANATO-4-METHYLPHENYL)-2-ETHYLHEXYL CARBAMATE
Preferred Name English
N-(3-ISOCYANATO-4-METHYLPHENYL)-2-ETHYLHEXYL CARBAMATE
Common Name English
CARBAMIC ACID, N-(3-ISOCYANATO-4-METHYLPHENYL)-, 2-ETHYLHEXYL ESTER
Systematic Name English
N-(2-ISOCYANATO-4-TOLYL)-.BETA.-ETHYLHEXYL CARBAMATE
Systematic Name English
Code System Code Type Description
FDA UNII
W1TLC15A9C
Created by admin on Tue Apr 01 16:46:55 GMT 2025 , Edited by admin on Tue Apr 01 16:46:55 GMT 2025
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PUBCHEM
6452475
Created by admin on Tue Apr 01 16:46:55 GMT 2025 , Edited by admin on Tue Apr 01 16:46:55 GMT 2025
PRIMARY
EPA CompTox
DTXSID30885963
Created by admin on Tue Apr 01 16:46:55 GMT 2025 , Edited by admin on Tue Apr 01 16:46:55 GMT 2025
PRIMARY
CAS
51604-48-9
Created by admin on Tue Apr 01 16:46:55 GMT 2025 , Edited by admin on Tue Apr 01 16:46:55 GMT 2025
PRIMARY