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Details

Stereochemistry ACHIRAL
Molecular Formula C27H31N3O
Molecular Weight 413.5545
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of [[4-[[2-(4-Cyclohexylphenoxy)ethyl]ethylamino]-2-methylphenyl]methylene]malononitrile

SMILES

CCN(CCOC1=CC=C(C=C1)C2CCCCC2)C3=CC=C(C=C(C#N)C#N)C(C)=C3

InChI

InChIKey=NQAJBKZEQYYFGK-UHFFFAOYSA-N
InChI=1S/C27H31N3O/c1-3-30(26-12-9-25(21(2)17-26)18-22(19-28)20-29)15-16-31-27-13-10-24(11-14-27)23-7-5-4-6-8-23/h9-14,17-18,23H,3-8,15-16H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C27H31N3O
Molecular Weight 413.5545
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 17:24:01 GMT 2025
Edited
by admin
on Tue Apr 01 17:24:01 GMT 2025
Record UNII
5K2B8ZC9JD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Propanedinitrile, [[4-[[2-(4-cyclohexylphenoxy)ethyl]ethylamino]-2-methylphenyl]methylene]-
Preferred Name English
[[4-[[2-(4-Cyclohexylphenoxy)ethyl]ethylamino]-2-methylphenyl]methylene]malononitrile
Systematic Name English
2-[[4-[[2-(4-Cyclohexylphenoxy)ethyl]ethylamino]-2-methylphenyl]methylene]propanedinitrile
Systematic Name English
Propanedinitrile, 2-[[4-[[2-(4-cyclohexylphenoxy)ethyl]ethylamino]-2-methylphenyl]methylene]-
Systematic Name English
Code System Code Type Description
CAS
54079-53-7
Created by admin on Tue Apr 01 17:24:01 GMT 2025 , Edited by admin on Tue Apr 01 17:24:01 GMT 2025
PRIMARY
EPA CompTox
DTXSID9068908
Created by admin on Tue Apr 01 17:24:01 GMT 2025 , Edited by admin on Tue Apr 01 17:24:01 GMT 2025
PRIMARY
PUBCHEM
104687
Created by admin on Tue Apr 01 17:24:01 GMT 2025 , Edited by admin on Tue Apr 01 17:24:01 GMT 2025
PRIMARY
ECHA (EC/EINECS)
258-964-5
Created by admin on Tue Apr 01 17:24:01 GMT 2025 , Edited by admin on Tue Apr 01 17:24:01 GMT 2025
PRIMARY
FDA UNII
5K2B8ZC9JD
Created by admin on Tue Apr 01 17:24:01 GMT 2025 , Edited by admin on Tue Apr 01 17:24:01 GMT 2025
PRIMARY