Details
Stereochemistry | ACHIRAL |
Molecular Formula | C14H11N |
Molecular Weight | 193.2438 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=CC=C(C=C1)C2=CC=CC=C2C#N
InChI
InChIKey=ZGQVZLSNEBEHFN-UHFFFAOYSA-N
InChI=1S/C14H11N/c1-11-6-8-12(9-7-11)14-5-3-2-4-13(14)10-15/h2-9H,1H3
Molecular Formula | C14H11N |
Molecular Weight | 193.2438 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
2-Cyano-4'-methylbiphenyl is a building block of the angiotensin II inhibitors for the treatment of hypertension known as the ‘Sartan’ family, like Irbesartan and it is an intermediate in the synthesis of glycogen synthase kinase-3 inhibitors with a selective sting for glycogen synthase kinase 3 alpha. 2-Cyano-4'-methylbiphenyl is a starting compound for the synthesis of substituted biphenyl tetrazole compounds with antimicrobial activity.
Approval Year
PubMed
Title | Date | PubMed |
---|---|---|
Vibrational spectroscopic, molecular structure, first hyperpolarizability and NBO studies of 4'-methylbiphenyl-2-carbonitrile. | 2012 Dec |
|
Molecular structure, spectroscopic (FT-IR, FT-Raman, 13C and 1H NMR, UV), polarizability and first-order hyperpolarizability, HOMO and LUMO analysis of 4'-methylbiphenyl-2-carbonitrile. | 2012 Feb 15 |
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 10:40:06 GMT 2023
by
admin
on
Sat Dec 16 10:40:06 GMT 2023
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Record UNII |
O417TI15TA
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Record Status |
Validated (UNII)
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Record Version |
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