4?-Butyl[1,1?-biphenyl]-4-carbonitrile

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H17N
Molecular Weight	235.3236
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4?-Butyl[1,1?-biphenyl]-4-carbonitrile

Structure Search

SMILES

CCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

InChI

InChIKey=PJPLBHHDTUICNN-UHFFFAOYSA-N

InChI=1S/C17H17N/c1-2-3-4-14-5-9-16(10-6-14)17-11-7-15(13-18)8-12-17/h5-12H,2-4H2,1H3

HIDE SMILES / InChI

Molecular Formula	C17H17N
Molecular Weight	235.3236
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 19:11:52 GMT 2025` Edited by `admin` on `Tue Apr 01 19:11:52 GMT 2025`
Record UNII	RL8FB56WM3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4?-Butyl[1,1?-biphenyl]-4-carbonitrile

Systematic Name

English

[1,1?-Biphenyl]-4-carbonitrile, 4?-butyl-

Preferred Name

English

Code System Code Type Description

ECHA (EC/EINECS)

258-119-0

Created by admin on Tue Apr 01 19:11:52 GMT 2025 , Edited by admin on Tue Apr 01 19:11:52 GMT 2025

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EPA CompTox

DTXSID0068785

Created by admin on Tue Apr 01 19:11:52 GMT 2025 , Edited by admin on Tue Apr 01 19:11:52 GMT 2025

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CAS

52709-83-8

Created by admin on Tue Apr 01 19:11:52 GMT 2025 , Edited by admin on Tue Apr 01 19:11:52 GMT 2025

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FDA UNII

RL8FB56WM3

Created by admin on Tue Apr 01 19:11:52 GMT 2025 , Edited by admin on Tue Apr 01 19:11:52 GMT 2025

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PUBCHEM

104288

Created by admin on Tue Apr 01 19:11:52 GMT 2025 , Edited by admin on Tue Apr 01 19:11:52 GMT 2025

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