N-CYANOETHYL-N-ACETOXYETHYLANILINE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H16N2O2
Molecular Weight	232.2783
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-CYANOETHYL-N-ACETOXYETHYLANILINE

SMILES

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

InChI

InChIKey=RRGWFPOSTSQIQE-UHFFFAOYSA-N

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

HIDE SMILES / InChI

Molecular Formula	C13H16N2O2
Molecular Weight	232.2783
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

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

Approval Year

Substance Class	Chemical
Record UNII	0908O0U5QU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Preferred Name

English

N-CYANOETHYL-N-ACETOXYETHYLANILINE

Systematic Name

English

N-(2-ACETOXYETHYL)-N-(2-CYANOETHYL)ANILINE

Systematic Name

English

PROPIONITRILE, 3-(N-(2-HYDROXYETHYL)ANILINO)-, ACETATE (ESTER)

Systematic Name

English

PROPIONITRILE, 3-(N-2-HYDROXYETHYLANILINO)-, ACETATE

Systematic Name

English

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Code System

Code

Type

Description

CAS

22031-33-0

PRIMARY

EPA CompTox

DTXSID4027818

PRIMARY

ECHA (EC/EINECS)

244-740-4

PRIMARY

FDA UNII

0908O0U5QU

PRIMARY

PUBCHEM

89163

PRIMARY

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