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Details

Stereochemistry ACHIRAL
Molecular Formula C11H7NO
Molecular Weight 169.1794
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 1-NAPHTHYLISOCYANATE

SMILES

O=C=NC1=C2C=CC=CC2=CC=C1

InChI

InChIKey=BDQNKCYCTYYMAA-UHFFFAOYSA-N
InChI=1S/C11H7NO/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H

HIDE SMILES / InChI

Molecular Formula C11H7NO
Molecular Weight 169.1794
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Determination of alpha-naphthylisothiocyanate and metabolites alpha-naphthylamine and alpha-naphthylisocyanate in rat plasma and urine by high-performance liquid chromatography.
2003 May 5
Utilization of a one-dimensional score for surveying chemical-induced changes in expression levels of multiple biomarker gene sets using a large-scale toxicogenomics database.
2006 Dec
Biodegradation of poly(propylene glycol)s under the conditions of the OECD screening test.
2007 Mar
Role of neutrophils in the pathogenesis of acute inflammatory liver injury.
2007 Oct
Measurement of plasma free choline by high performance liquid chromatography with fluorescence detection following derivatization with 1-naphthyl isocyanate.
2009 Jun 30
Chiral separation of the β2-sympathomimetic fenoterol by HPLC and capillary zone electrophoresis for pharmacokinetic studies.
2010 Oct
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:48:44 GMT 2023
Edited
by admin
on Fri Dec 15 17:48:44 GMT 2023
Record UNII
5LH2P0691E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-NAPHTHYLISOCYANATE
MI  
Systematic Name English
ISOCYANIC ACID 1-NAPHTHYL ESTER
Systematic Name English
1-NAPHTHYLISOCYANATE [MI]
Common Name English
.ALPHA.-NAPHTHYL ISOCYANATE
Systematic Name English
NSC-4023
Code English
NAPHTHYL ISOCYANATE, 1-
Systematic Name English
1-ISOCYANATONAPHTHALENE
Systematic Name English
Code System Code Type Description
MESH
C061621
Created by admin on Fri Dec 15 17:48:44 GMT 2023 , Edited by admin on Fri Dec 15 17:48:44 GMT 2023
PRIMARY
ECHA (EC/EINECS)
201-703-7
Created by admin on Fri Dec 15 17:48:44 GMT 2023 , Edited by admin on Fri Dec 15 17:48:44 GMT 2023
PRIMARY
FDA UNII
5LH2P0691E
Created by admin on Fri Dec 15 17:48:44 GMT 2023 , Edited by admin on Fri Dec 15 17:48:44 GMT 2023
PRIMARY
EPA CompTox
DTXSID9058949
Created by admin on Fri Dec 15 17:48:44 GMT 2023 , Edited by admin on Fri Dec 15 17:48:44 GMT 2023
PRIMARY
CAS
86-84-0
Created by admin on Fri Dec 15 17:48:44 GMT 2023 , Edited by admin on Fri Dec 15 17:48:44 GMT 2023
PRIMARY
NSC
4023
Created by admin on Fri Dec 15 17:48:44 GMT 2023 , Edited by admin on Fri Dec 15 17:48:44 GMT 2023
PRIMARY
MERCK INDEX
m7762
Created by admin on Fri Dec 15 17:48:44 GMT 2023 , Edited by admin on Fri Dec 15 17:48:44 GMT 2023
PRIMARY Merck Index
PUBCHEM
66589
Created by admin on Fri Dec 15 17:48:44 GMT 2023 , Edited by admin on Fri Dec 15 17:48:44 GMT 2023
PRIMARY