BUTYL CYANOACETATE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H11NO2
Molecular Weight	141.1677
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BUTYL CYANOACETATE

Structure Search

SMILES

CCCCOC(=O)CC#N

InChI

InChIKey=DJACTCNGCHPGOI-UHFFFAOYSA-N

InChI=1S/C7H11NO2/c1-2-3-6-10-7(9)4-5-8/h2-4,6H2,1H3

HIDE SMILES / InChI

Molecular Formula	C7H11NO2
Molecular Weight	141.1677
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

PubMed

Title	Date	PubMed
Synthesis of omega-hydroxy carboxylic acids and alpha,omega-dimethyl ketones using alpha,omega-diols as alkylating agents.	2010-03-05	20121069

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:59:50 GMT 2025` Edited by `admin` on `Mon Mar 31 21:59:50 GMT 2025`
Record UNII	F9H6L20VOH
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BUTYL CYANOACETATE

Systematic Name

English

NSC-24260

Preferred Name

English

ACETIC ACID, 2-CYANO-, BUTYL ESTER

Systematic Name

English

ACETIC ACID, CYANO-, BUTYL ESTER

Systematic Name

English

N-BUTYL .ALPHA.-CYANOACETATE

Systematic Name

English

N-BUTYL CYANOACETATE

Systematic Name

English

CYANOACETIC ACID BUTYL ESTER

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

226-730-1

Created by admin on Mon Mar 31 21:59:50 GMT 2025 , Edited by admin on Mon Mar 31 21:59:50 GMT 2025

PRIMARY

NSC

24260

Created by admin on Mon Mar 31 21:59:50 GMT 2025 , Edited by admin on Mon Mar 31 21:59:50 GMT 2025

PRIMARY

FDA UNII

F9H6L20VOH

Created by admin on Mon Mar 31 21:59:50 GMT 2025 , Edited by admin on Mon Mar 31 21:59:50 GMT 2025

PRIMARY

PUBCHEM

79571

Created by admin on Mon Mar 31 21:59:50 GMT 2025 , Edited by admin on Mon Mar 31 21:59:50 GMT 2025

PRIMARY

RXCUI

2283402

Created by admin on Mon Mar 31 21:59:50 GMT 2025 , Edited by admin on Mon Mar 31 21:59:50 GMT 2025

PRIMARY

CAS

5459-58-5

Created by admin on Mon Mar 31 21:59:50 GMT 2025 , Edited by admin on Mon Mar 31 21:59:50 GMT 2025

PRIMARY

DAILYMED

F9H6L20VOH

Created by admin on Mon Mar 31 21:59:50 GMT 2025 , Edited by admin on Mon Mar 31 21:59:50 GMT 2025

PRIMARY

EPA CompTox

DTXSID1044439

Created by admin on Mon Mar 31 21:59:50 GMT 2025 , Edited by admin on Mon Mar 31 21:59:50 GMT 2025

PRIMARY