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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=C(C)C(=C1)N=C=O

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

Approval Year

Unknown
139594
Name Type Language
N-(3-ISOCYANATO-4-METHYLPHENYL)-2-ETHYLHEXYL CARBAMATE
Common Name English
(5-ISOCYANATO-4-METHYLPHENYL)-2-ETHYLHEXYL CARBAMATE
Systematic 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 Sat Dec 16 11:40:36 GMT 2023 , Edited by admin on Sat Dec 16 11:40:36 GMT 2023
PRIMARY
PUBCHEM
6452475
Created by admin on Sat Dec 16 11:40:36 GMT 2023 , Edited by admin on Sat Dec 16 11:40:36 GMT 2023
PRIMARY
EPA CompTox
DTXSID30885963
Created by admin on Sat Dec 16 11:40:36 GMT 2023 , Edited by admin on Sat Dec 16 11:40:36 GMT 2023
PRIMARY
CAS
51604-48-9
Created by admin on Sat Dec 16 11:40:36 GMT 2023 , Edited by admin on Sat Dec 16 11:40:36 GMT 2023
PRIMARY
NIH
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