ISOPENTEDRONE

Details

Stereochemistry	RACEMIC
Molecular Formula	C12H17NO
Molecular Weight	191.2695
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCC(=O)C(NC)C1=CC=CC=C1

InChI

InChIKey=ILGRTMNCRBDXBI-UHFFFAOYSA-N

InChI=1S/C12H17NO/c1-3-7-11(14)12(13-2)10-8-5-4-6-9-10/h4-6,8-9,12-13H,3,7H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C12H17NO
Molecular Weight	191.2695
Charge	0
Count

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

Approval Year

PubMed

Title	Date	PubMed
Mass, NMR and IR spectroscopic characterization of pentedrone and pentylone and identification of their isocathinone by-products.	2012-04-10	22115724

Substance Class	Chemical Created by `admin` on `Tue Apr 01 16:26:36 GMT 2025` Edited by `admin` on `Tue Apr 01 16:26:36 GMT 2025`
Record UNII	07ZR3U1KET
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISOPENTEDRONE

Common Name

English

1-METHYLAMINO-1-PHENYLPENTAN-2-ONE

Preferred Name

English

2-PENTANONE, 1-(METHYLAMINO)-1-PHENYL-

Systematic Name

English

Code System Code Type Description

PUBCHEM

91710915

Created by admin on Tue Apr 01 16:26:36 GMT 2025 , Edited by admin on Tue Apr 01 16:26:36 GMT 2025

PRIMARY

CAS

1429402-11-8

Created by admin on Tue Apr 01 16:26:36 GMT 2025 , Edited by admin on Tue Apr 01 16:26:36 GMT 2025

PRIMARY

EPA CompTox

DTXSID101043084

Created by admin on Tue Apr 01 16:26:36 GMT 2025 , Edited by admin on Tue Apr 01 16:26:36 GMT 2025

PRIMARY

FDA UNII

07ZR3U1KET

Created by admin on Tue Apr 01 16:26:36 GMT 2025 , Edited by admin on Tue Apr 01 16:26:36 GMT 2025

PRIMARY

Related Record Type Details


					WLB4U5W9CC

ISOPENTEDRONE HYDROCHLORIDE

SALT/SOLVATE -> PARENT

Related Record Type Details


					2ELU1B757Q

PENTEDRONE

PARENT -> IMPURITY

Qualification:

Scientific Literature