(4-Isobutylphenyl)acetonitrile

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H15N
Molecular Weight	173.2542
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (4-Isobutylphenyl)acetonitrile

Structure Search

SMILES

CC(C)CC1=CC=C(CC#N)C=C1

InChI

InChIKey=INYXZKUEDMCFSU-UHFFFAOYSA-N

InChI=1S/C12H15N/c1-10(2)9-12-5-3-11(4-6-12)7-8-13/h3-6,10H,7,9H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C12H15N
Molecular Weight	173.2542
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 19:06:23 GMT 2025` Edited by `admin` on `Tue Apr 01 19:06:23 GMT 2025`
Record UNII	L8CB43P9N8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(4-Isobutylphenyl)acetonitrile

Systematic Name

English

(p-Isobutylphenyl)acetonitrile

Preferred Name

English

Acetonitrile, (p-isobutylphenyl)-

Systematic Name

English

Benzeneacetonitrile, 4-(2-methylpropyl)-

Systematic Name

English

4-(2-Methylpropyl)benzeneacetonitrile

Systematic Name

English

Code System Code Type Description

CAS

40784-95-0

Created by admin on Tue Apr 01 19:06:23 GMT 2025 , Edited by admin on Tue Apr 01 19:06:23 GMT 2025

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FDA UNII

L8CB43P9N8

Created by admin on Tue Apr 01 19:06:23 GMT 2025 , Edited by admin on Tue Apr 01 19:06:23 GMT 2025

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PUBCHEM

170426

Created by admin on Tue Apr 01 19:06:23 GMT 2025 , Edited by admin on Tue Apr 01 19:06:23 GMT 2025

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ECHA (EC/EINECS)

255-079-6

Created by admin on Tue Apr 01 19:06:23 GMT 2025 , Edited by admin on Tue Apr 01 19:06:23 GMT 2025

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EPA CompTox

DTXSID70193776

Created by admin on Tue Apr 01 19:06:23 GMT 2025 , Edited by admin on Tue Apr 01 19:06:23 GMT 2025

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