2-ETHYLHEXYL CYANOACETATE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C11H19NO2
Molecular Weight	197.2741
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-ETHYLHEXYL CYANOACETATE

Structure Search

SMILES

CCCCC(CC)COC(=O)CC#N

InChI

InChIKey=ZNYBQVBNSXLZNI-UHFFFAOYSA-N

InChI=1S/C11H19NO2/c1-3-5-6-10(4-2)9-14-11(13)7-8-12/h10H,3-7,9H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C11H19NO2
Molecular Weight	197.2741
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:13:33 GMT 2025` Edited by `admin` on `Mon Mar 31 23:13:33 GMT 2025`
Record UNII	6D8I2A0O4D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-69963

Preferred Name

English

2-ETHYLHEXYL CYANOACETATE

Systematic Name

English

ACETIC ACID, CYANO-, 2-ETHYLHEXYL ESTER

Systematic Name

English

ACETIC ACID, 2-CYANO-, 2-ETHYLHEXYL ESTER

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

236-425-5

Created by admin on Mon Mar 31 23:13:33 GMT 2025 , Edited by admin on Mon Mar 31 23:13:33 GMT 2025

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PUBCHEM

96359

Created by admin on Mon Mar 31 23:13:33 GMT 2025 , Edited by admin on Mon Mar 31 23:13:33 GMT 2025

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EPA CompTox

DTXSID9044378

Created by admin on Mon Mar 31 23:13:33 GMT 2025 , Edited by admin on Mon Mar 31 23:13:33 GMT 2025

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CAS

13361-34-7

Created by admin on Mon Mar 31 23:13:33 GMT 2025 , Edited by admin on Mon Mar 31 23:13:33 GMT 2025

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FDA UNII

6D8I2A0O4D

Created by admin on Mon Mar 31 23:13:33 GMT 2025 , Edited by admin on Mon Mar 31 23:13:33 GMT 2025

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NSC

69963

Created by admin on Mon Mar 31 23:13:33 GMT 2025 , Edited by admin on Mon Mar 31 23:13:33 GMT 2025

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