N-PROPYL BK-BDB HYDROCHLORIDE

Details

Stereochemistry	RACEMIC
Molecular Formula	C14H19NO3.ClH
Molecular Weight	285.767
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-PROPYL BK-BDB HYDROCHLORIDE

Structure Search

SMILES

Cl.CCCNC(CC)C(=O)C1=CC=C2OCOC2=C1

InChI

InChIKey=KEDDCLHJSTXVSZ-UHFFFAOYSA-N

InChI=1S/C14H19NO3.ClH/c1-3-7-15-11(4-2)14(16)10-5-6-12-13(8-10)18-9-17-12;/h5-6,8,11,15H,3-4,7,9H2,1-2H3;1H

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Molecular Formula	C14H19NO3
Molecular Weight	249.3056
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 22:51:10 GMT 2025` Edited by `admin` on `Mon Mar 31 22:51:10 GMT 2025`
Record UNII	02KO1T35NZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-PROPYL BK-BDB HYDROCHLORIDE

Common Name

English

1-BUTANONE, 1-(1,3-BENZODIOXOL-5-YL)-2-(PROPYLAMINO)-, HYDROCHLORIDE (1:1)

Preferred Name

English

BUTYROPHENONE, 3',4'-(METHYLENEDIOXY)-2-(PROPYLAMINO)-, HYDROCHLORIDE

Systematic Name

English

Code System Code Type Description

PUBCHEM

122129921

Created by admin on Mon Mar 31 22:51:10 GMT 2025 , Edited by admin on Mon Mar 31 22:51:10 GMT 2025

PRIMARY

EPA CompTox

DTXSID901341989

Created by admin on Mon Mar 31 22:51:10 GMT 2025 , Edited by admin on Mon Mar 31 22:51:10 GMT 2025

PRIMARY

FDA UNII

02KO1T35NZ

Created by admin on Mon Mar 31 22:51:10 GMT 2025 , Edited by admin on Mon Mar 31 22:51:10 GMT 2025

PRIMARY

CAS

17762-91-3

Created by admin on Mon Mar 31 22:51:10 GMT 2025 , Edited by admin on Mon Mar 31 22:51:10 GMT 2025

PRIMARY

Related Record Type Details


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N-PROPYL BK-BDB

SALT/SOLVATE -> PARENT