Propanenitrile, 3-[[2-(acetyloxy)ethyl]phenylamino]-, acetate

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H16N2O2.C2H4O2
Molecular Weight	292.3303
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Propanenitrile, 3-[[2-(acetyloxy)ethyl]phenylamino]-, acetate

Structure Search

SMILES

CC(O)=O.CC(=O)OCCN(CCC#N)C1=CC=CC=C1

InChI

InChIKey=QFTRNUOMNHYMPK-UHFFFAOYSA-N

InChI=1S/C13H16N2O2.C2H4O2/c1-12(16)17-11-10-15(9-5-8-14)13-6-3-2-4-7-13;1-2(3)4/h2-4,6-7H,5,9-11H2,1H3;1H3,(H,3,4)

HIDE SMILES / InChI

Molecular Formula	C13H16N2O2
Molecular Weight	232.2783
Charge	0
Count

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

Molecular Formula	C2H4O2
Molecular Weight	60.052
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 `Sat Dec 16 12:24:50 GMT 2023` Edited by `admin` on `Sat Dec 16 12:24:50 GMT 2023`
Record UNII	N2F9TZ4H8Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Propanenitrile, 3-[[2-(acetyloxy)ethyl]phenylamino]-, acetate

Common Name

English

Propanenitrile, 3-[[2-(acetyloxy)ethyl]phenylamino]-, acetate (1:1)

Systematic Name

English

Propanenitrile, 3-[[2-(acetyloxy)ethyl]phenylamino]-, monoacetate

Systematic Name

English

Code System Code Type Description

CAS

71487-10-0

Created by admin on Sat Dec 16 12:24:50 GMT 2023 , Edited by admin on Sat Dec 16 12:24:50 GMT 2023

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ECHA (EC/EINECS)

275-534-2

Created by admin on Sat Dec 16 12:24:50 GMT 2023 , Edited by admin on Sat Dec 16 12:24:50 GMT 2023

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EPA CompTox

DTXSID9072363

Created by admin on Sat Dec 16 12:24:50 GMT 2023 , Edited by admin on Sat Dec 16 12:24:50 GMT 2023

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PUBCHEM

172812

Created by admin on Sat Dec 16 12:24:50 GMT 2023 , Edited by admin on Sat Dec 16 12:24:50 GMT 2023

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FDA UNII

N2F9TZ4H8Y

Created by admin on Sat Dec 16 12:24:50 GMT 2023 , Edited by admin on Sat Dec 16 12:24:50 GMT 2023

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