3-(BUTYLPHENYLAMINO)PROPANENITRILE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H18N2
Molecular Weight	202.2954
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(BUTYLPHENYLAMINO)PROPANENITRILE

Structure Search

SMILES

CCCCN(CCC#N)C1=CC=CC=C1

InChI

InChIKey=KMGZOJSHGRNXOC-UHFFFAOYSA-N

InChI=1S/C13H18N2/c1-2-3-11-15(12-7-10-14)13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,11-12H2,1H3

HIDE SMILES / InChI

Molecular Formula	C13H18N2
Molecular Weight	202.2954
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 17:48:18 GMT 2025` Edited by `admin` on `Tue Apr 01 17:48:18 GMT 2025`
Record UNII	FD7XA8E2QK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-(BUTYLPHENYLAMINO)PROPANENITRILE

Systematic Name

English

PROPANENITRILE, 3-(BUTYLPHENYLAMINO)-

Preferred Name

English

N-BUTYL-N-(.BETA.-CYANOETHYL)ANILINE

Common Name

English

3-(BUTYLPHENYLAMINO)PROPIONONITRILE

Systematic Name

English

N-BUTYL-N-(2-CYANOETHYL)ANILINE

Common Name

English

Code System Code Type Description

CAS

61852-40-2

Created by admin on Tue Apr 01 17:48:18 GMT 2025 , Edited by admin on Tue Apr 01 17:48:18 GMT 2025

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PUBCHEM

112757

Created by admin on Tue Apr 01 17:48:18 GMT 2025 , Edited by admin on Tue Apr 01 17:48:18 GMT 2025

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EPA CompTox

DTXSID8069513

Created by admin on Tue Apr 01 17:48:18 GMT 2025 , Edited by admin on Tue Apr 01 17:48:18 GMT 2025

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FDA UNII

FD7XA8E2QK

Created by admin on Tue Apr 01 17:48:18 GMT 2025 , Edited by admin on Tue Apr 01 17:48:18 GMT 2025

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ECHA (EC/EINECS)

263-275-8

Created by admin on Tue Apr 01 17:48:18 GMT 2025 , Edited by admin on Tue Apr 01 17:48:18 GMT 2025

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