U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C14H17NO
Molecular Weight 215.2909
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(4-METHOXYPHENYL)CYCLOHEXANECARBONITRILE

SMILES

COC1=CC=C(C=C1)C2(CCCCC2)C#N

InChI

InChIKey=YQXUSXSQFVWPRQ-UHFFFAOYSA-N
InChI=1S/C14H17NO/c1-16-13-7-5-12(6-8-13)14(11-15)9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3

HIDE SMILES / InChI

Molecular Formula C14H17NO
Molecular Weight 215.2909
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 19:44:10 GMT 2025
Edited
by admin
on Tue Apr 01 19:44:10 GMT 2025
Record UNII
ZY7BW6G2DC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-155171
Preferred Name English
1-(4-METHOXYPHENYL)CYCLOHEXANECARBONITRILE
Systematic Name English
CYCLOHEXANECARBONITRILE, 1-(4-METHOXYPHENYL)-
Systematic Name English
1-(4-METHOXYPHENYL)-1-CYCLOHEXANECARBONITRILE
Systematic Name English
Code System Code Type Description
CAS
36263-51-1
Created by admin on Tue Apr 01 19:44:10 GMT 2025 , Edited by admin on Tue Apr 01 19:44:10 GMT 2025
PRIMARY
ECHA (EC/EINECS)
252-938-7
Created by admin on Tue Apr 01 19:44:10 GMT 2025 , Edited by admin on Tue Apr 01 19:44:10 GMT 2025
PRIMARY
FDA UNII
ZY7BW6G2DC
Created by admin on Tue Apr 01 19:44:10 GMT 2025 , Edited by admin on Tue Apr 01 19:44:10 GMT 2025
PRIMARY
EPA CompTox
DTXSID80189802
Created by admin on Tue Apr 01 19:44:10 GMT 2025 , Edited by admin on Tue Apr 01 19:44:10 GMT 2025
PRIMARY
PUBCHEM
98629
Created by admin on Tue Apr 01 19:44:10 GMT 2025 , Edited by admin on Tue Apr 01 19:44:10 GMT 2025
PRIMARY
NSC
155171
Created by admin on Tue Apr 01 19:44:10 GMT 2025 , Edited by admin on Tue Apr 01 19:44:10 GMT 2025
PRIMARY