N,N-DIETHYLPENTYLONE

Details

Stereochemistry	RACEMIC
Molecular Formula	C16H23NO3
Molecular Weight	277.3587
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCC(N(CC)CC)C(=O)C1=CC2=C(OCO2)C=C1

InChI

InChIKey=CUPSLSIMIHCVIA-UHFFFAOYSA-N

InChI=1S/C16H23NO3/c1-4-7-13(17(5-2)6-3)16(18)12-8-9-14-15(10-12)20-11-19-14/h8-10,13H,4-7,11H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C16H23NO3
Molecular Weight	277.3587
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 `Wed Apr 02 10:24:55 GMT 2025` Edited by `admin` on `Wed Apr 02 10:24:55 GMT 2025`
Record UNII	X9AJ3K79RT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-(1,3-BENZODIOXOL-5-YL)-2-(DIETHYLAMINO)-1-PENTANONE

Preferred Name

English

N,N-DIETHYLPENTYLONE

Systematic Name

English

1-PENTANONE, 1-(1,3-BENZODIOXOL-5-YL)-2-(DIETHYLAMINO)-

Systematic Name

English

VALEROPHENONE, 2-(DIETHYLAMINO)-3',4'-(METHYLENEDIOXY)-

Systematic Name

English

1-(BENZO(D)(1,3)DIOXOL-5-YL)-2-(DIETHYLAMINO)PENTAN-1-ONE

Systematic Name

English

Code System Code Type Description

CAS

801171-27-7

Created by admin on Wed Apr 02 10:24:55 GMT 2025 , Edited by admin on Wed Apr 02 10:24:55 GMT 2025

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PUBCHEM

132989250

Created by admin on Wed Apr 02 10:24:55 GMT 2025 , Edited by admin on Wed Apr 02 10:24:55 GMT 2025

PRIMARY

EPA CompTox

DTXSID401342475

Created by admin on Wed Apr 02 10:24:55 GMT 2025 , Edited by admin on Wed Apr 02 10:24:55 GMT 2025

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FDA UNII

X9AJ3K79RT

Created by admin on Wed Apr 02 10:24:55 GMT 2025 , Edited by admin on Wed Apr 02 10:24:55 GMT 2025

PRIMARY

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