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Details

Stereochemistry ACHIRAL
Molecular Formula C13H18FNO.ClH
Molecular Weight 259.747
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(Diethylamino)-4'-fluoropropiophenone hydrochloride

SMILES

Cl.CCN(CC)CCC(=O)C1=CC=C(F)C=C1

InChI

InChIKey=AKNWAXJGJZVLIU-UHFFFAOYSA-N
InChI=1S/C13H18FNO.ClH/c1-3-15(4-2)10-9-13(16)11-5-7-12(14)8-6-11;/h5-8H,3-4,9-10H2,1-2H3;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 C13H18FNO
Molecular Weight 223.2865
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:20:13 GMT 2025
Edited
by admin
on Tue Apr 01 19:20:13 GMT 2025
Record UNII
VEV49VC4E6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Propanone, 3-(diethylamino)-1-(4-fluorophenyl)-, hydrochloride
Preferred Name English
3-(Diethylamino)-4'-fluoropropiophenone hydrochloride
Systematic Name English
1-Propanone, 3-(diethylamino)-1-(4-fluorophenyl)-, hydrochloride (1:1)
Systematic Name English
Code System Code Type Description
CAS
76475-75-7
Created by admin on Tue Apr 01 19:20:13 GMT 2025 , Edited by admin on Tue Apr 01 19:20:13 GMT 2025
PRIMARY
FDA UNII
VEV49VC4E6
Created by admin on Tue Apr 01 19:20:13 GMT 2025 , Edited by admin on Tue Apr 01 19:20:13 GMT 2025
PRIMARY
PUBCHEM
12644971
Created by admin on Tue Apr 01 19:20:13 GMT 2025 , Edited by admin on Tue Apr 01 19:20:13 GMT 2025
PRIMARY
ECHA (EC/EINECS)
278-476-6
Created by admin on Tue Apr 01 19:20:13 GMT 2025 , Edited by admin on Tue Apr 01 19:20:13 GMT 2025
PRIMARY
EPA CompTox
DTXSID70227282
Created by admin on Tue Apr 01 19:20:13 GMT 2025 , Edited by admin on Tue Apr 01 19:20:13 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE