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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

Unknown
139594
PubMed

PubMed

TitleDatePubMed
Patents

Patents

04036979
10
04125724
1
04521325
3
04933355
9
04956359
4
05166162
1
05183902
5
JP2011509708A
1
JPH09100264A
1
JPS60246381A
1
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:41:38 GMT 2023
Edited
by admin
on Fri Dec 15 18:41:38 GMT 2023
Record UNII
T699595BLW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOCYANATOCYCLOHEXANE
Systematic Name English
NSC-87419
Code 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 Fri Dec 15 18:41:38 GMT 2023 , Edited by admin on Fri Dec 15 18:41:38 GMT 2023
PRIMARY
CHEBI
136604
Created by admin on Fri Dec 15 18:41:38 GMT 2023 , Edited by admin on Fri Dec 15 18:41:38 GMT 2023
PRIMARY
CAS
3173-53-3
Created by admin on Fri Dec 15 18:41:38 GMT 2023 , Edited by admin on Fri Dec 15 18:41:38 GMT 2023
PRIMARY
NSC
87419
Created by admin on Fri Dec 15 18:41:38 GMT 2023 , Edited by admin on Fri Dec 15 18:41:38 GMT 2023
PRIMARY
EPA CompTox
DTXSID8025464
Created by admin on Fri Dec 15 18:41:38 GMT 2023 , Edited by admin on Fri Dec 15 18:41:38 GMT 2023
PRIMARY
PUBCHEM
18502
Created by admin on Fri Dec 15 18:41:38 GMT 2023 , Edited by admin on Fri Dec 15 18:41:38 GMT 2023
PRIMARY
ECHA (EC/EINECS)
221-639-3
Created by admin on Fri Dec 15 18:41:38 GMT 2023 , Edited by admin on Fri Dec 15 18:41:38 GMT 2023
PRIMARY
FDA UNII
T699595BLW
Created by admin on Fri Dec 15 18:41:38 GMT 2023 , Edited by admin on Fri Dec 15 18:41:38 GMT 2023
PRIMARY
NIH
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