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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H19N
Molecular Weight 249.3502
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Cyano-4'-pentylbiphenyl

SMILES

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

InChI

InChIKey=HHPCNRKYVYWYAU-UHFFFAOYSA-N
InChI=1S/C18H19N/c1-2-3-4-5-15-6-10-17(11-7-15)18-12-8-16(14-19)9-13-18/h6-13H,2-5H2,1H3

HIDE SMILES / InChI

Molecular Formula C18H19N
Molecular Weight 249.3502
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
2R6RYG3ZGM
Record Status Validated (UNII)
Record Version