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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
Structure of 2-Cyano-4'-methylbiphenyl

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

HIDE SMILES / InChI

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

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Vibrational spectroscopic, molecular structure, first hyperpolarizability and NBO studies of 4'-methylbiphenyl-2-carbonitrile.
2012-12
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.
2012-02-15
Patents

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Mon Mar 31 23:22:49 GMT 2025
Edited
by admin
on Mon Mar 31 23:22:49 GMT 2025
Record UNII
O417TI15TA
Record Status Validated (UNII)
Record Version
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Name Type Language
2-Cyano-4'-methylbiphenyl
Preferred Name English
Code System Code Type Description
CAS
114772-53-1
Created by admin on Mon Mar 31 23:22:49 GMT 2025 , Edited by admin on Mon Mar 31 23:22:49 GMT 2025
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PUBCHEM
145512
Created by admin on Mon Mar 31 23:22:49 GMT 2025 , Edited by admin on Mon Mar 31 23:22:49 GMT 2025
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EPA CompTox
DTXSID0057623
Created by admin on Mon Mar 31 23:22:49 GMT 2025 , Edited by admin on Mon Mar 31 23:22:49 GMT 2025
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FDA UNII
O417TI15TA
Created by admin on Mon Mar 31 23:22:49 GMT 2025 , Edited by admin on Mon Mar 31 23:22:49 GMT 2025
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