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Details

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

SHOW SMILES / InChI
Structure of N-ETHYLPENTYLONE HYDROCHLORIDE

SMILES

Cl.CCCC(NCC)C(=O)C1=CC2=C(OCO2)C=C1

InChI

InChIKey=RMDGINCOKQDLNS-UHFFFAOYSA-N
InChI=1S/C14H19NO3.ClH/c1-3-5-11(15-4-2)14(16)10-6-7-12-13(8-10)18-9-17-12;/h6-8,11,15H,3-5,9H2,1-2H3;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 Sat Dec 16 14:52:04 UTC 2023
Edited
by admin
on Sat Dec 16 14:52:04 UTC 2023
Record UNII
S3G8XZW25I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-ETHYLPENTYLONE HYDROCHLORIDE
Common Name English
1-PENTANONE, 1-(1,3-BENZODIOXOL-5-YL)-2-(ETHYLAMINO)-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
S3G8XZW25I
Created by admin on Sat Dec 16 14:52:04 UTC 2023 , Edited by admin on Sat Dec 16 14:52:04 UTC 2023
PRIMARY
EPA CompTox
DTXSID401336464
Created by admin on Sat Dec 16 14:52:04 UTC 2023 , Edited by admin on Sat Dec 16 14:52:04 UTC 2023
PRIMARY
PUBCHEM
132989253
Created by admin on Sat Dec 16 14:52:04 UTC 2023 , Edited by admin on Sat Dec 16 14:52:04 UTC 2023
PRIMARY
CAS
17763-02-9
Created by admin on Sat Dec 16 14:52:04 UTC 2023 , Edited by admin on Sat Dec 16 14:52:04 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE