4,4-DIMETHOXYBUTYRONITRILE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H11NO2
Molecular Weight	129.157
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4,4-DIMETHOXYBUTYRONITRILE

Structure Search

SMILES

COC(CCC#N)OC

InChI

InChIKey=XJHNCGVHPLDMRK-UHFFFAOYSA-N

InChI=1S/C6H11NO2/c1-8-6(9-2)4-3-5-7/h6H,3-4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C6H11NO2
Molecular Weight	129.157
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 19:10:13 GMT 2025` Edited by `admin` on `Tue Apr 01 19:10:13 GMT 2025`
Record UNII	J3WU6C9R93
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BUTANENITRILE, 4,4-DIMETHOXY-

Preferred Name

English

4,4-DIMETHOXYBUTYRONITRILE

Systematic Name

English

CYANOPROPIONALDEHYDE DIMETHYL ACETAL

Common Name

English

BUTYRONITRILE, 4,4-DIMETHOXY-

Systematic Name

English

4,4-DIMETHOXYBUTANENITRILE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID3065796

Created by admin on Tue Apr 01 19:10:13 GMT 2025 , Edited by admin on Tue Apr 01 19:10:13 GMT 2025

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FDA UNII

J3WU6C9R93

Created by admin on Tue Apr 01 19:10:13 GMT 2025 , Edited by admin on Tue Apr 01 19:10:13 GMT 2025

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PUBCHEM

84558

Created by admin on Tue Apr 01 19:10:13 GMT 2025 , Edited by admin on Tue Apr 01 19:10:13 GMT 2025

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CAS

14618-78-1

Created by admin on Tue Apr 01 19:10:13 GMT 2025 , Edited by admin on Tue Apr 01 19:10:13 GMT 2025

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ECHA (EC/EINECS)

238-658-8

Created by admin on Tue Apr 01 19:10:13 GMT 2025 , Edited by admin on Tue Apr 01 19:10:13 GMT 2025

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