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Details

Stereochemistry ACHIRAL
Molecular Formula C7H11NO
Molecular Weight 125.1683
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ISOCYANATOCYCLOHEXANE

SMILES

O=C=NC1CCCCC1

InChI

InChIKey=KQWGXHWJMSMDJJ-UHFFFAOYSA-N
InChI=1S/C7H11NO/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2

HIDE SMILES / InChI

Molecular Formula C7H11NO
Molecular Weight 125.1683
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
trans-5-(4-Chloro-phen-yl)-N-cyclo-hexyl-4-methyl-2-oxo-1,3-thia-zolidine-3-carboxamide.
2008-05-07
Synthesis of HMDI-based segmented polyurethanes and their use in the manufacture of elastomeric composites for cardiovascular applications.
2007
Synthesis, structure, and reactivity of a stabilized calcium carbene: R(2)CCa.
2006-11-15
Carbamoylating chemoresistance induced by cobalt pretreatment in C6 glioma cells: putative roles of hypoxia-inducible factor-1.
2004-03
Immunologic cross-reactivity between different albumin-bound isocyanates.
1983-02
Use of hexyl isocyanate antigen to detect antibodies to hexamethylene diisocyanate (HDI) in sensitized guinea pigs and in a sensitized worker.
1982-05-01
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:18:59 GMT 2025
Edited
by admin
on Mon Mar 31 19:18:59 GMT 2025
Record UNII
T699595BLW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-87419
Preferred Name English
ISOCYANATOCYCLOHEXANE
Systematic Name English
CYCLOHEXANE ISOCYANATE
Systematic Name English
ISOCYANIC ACID, CYCLOHEXYL ESTER
Systematic Name English
CYCLOHEXANE, ISOCYANATO-
Systematic Name English
CYCLOHEXYL ISOCYANATE
Systematic Name English
Code System Code Type Description
HSDB
8037
Created by admin on Mon Mar 31 19:18:59 GMT 2025 , Edited by admin on Mon Mar 31 19:18:59 GMT 2025
PRIMARY
CHEBI
136604
Created by admin on Mon Mar 31 19:18:59 GMT 2025 , Edited by admin on Mon Mar 31 19:18:59 GMT 2025
PRIMARY
CAS
3173-53-3
Created by admin on Mon Mar 31 19:18:59 GMT 2025 , Edited by admin on Mon Mar 31 19:18:59 GMT 2025
PRIMARY
NSC
87419
Created by admin on Mon Mar 31 19:18:59 GMT 2025 , Edited by admin on Mon Mar 31 19:18:59 GMT 2025
PRIMARY
EPA CompTox
DTXSID8025464
Created by admin on Mon Mar 31 19:18:59 GMT 2025 , Edited by admin on Mon Mar 31 19:18:59 GMT 2025
PRIMARY
PUBCHEM
18502
Created by admin on Mon Mar 31 19:18:59 GMT 2025 , Edited by admin on Mon Mar 31 19:18:59 GMT 2025
PRIMARY
ECHA (EC/EINECS)
221-639-3
Created by admin on Mon Mar 31 19:18:59 GMT 2025 , Edited by admin on Mon Mar 31 19:18:59 GMT 2025
PRIMARY
FDA UNII
T699595BLW
Created by admin on Mon Mar 31 19:18:59 GMT 2025 , Edited by admin on Mon Mar 31 19:18:59 GMT 2025
PRIMARY