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Details

Stereochemistry ACHIRAL
Molecular Formula C12H16FNO2.ClH
Molecular Weight 261.72
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 3-{3-[(2-fluoroethyl)amino]phenyl}propanoate hydrochloride

SMILES

Cl.COC(=O)CCC1=CC(NCCF)=CC=C1

InChI

InChIKey=JTHXMWBSOFAULB-UHFFFAOYSA-N
InChI=1S/C12H16FNO2.ClH/c1-16-12(15)6-5-10-3-2-4-11(9-10)14-8-7-13;/h2-4,9,14H,5-8H2,1H3;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 C12H16FNO2
Molecular Weight 225.2593
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 Wed Apr 02 18:02:43 GMT 2025
Edited
by admin
on Wed Apr 02 18:02:43 GMT 2025
Record UNII
5ZT7KKX82F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-79493
Preferred Name English
Methyl 3-{3-[(2-fluoroethyl)amino]phenyl}propanoate hydrochloride
Systematic Name English
Hydrocinnamic acid, 3-(2-fluoroethylamino)-, methyl ester, hydrochloride
Common Name English
Hydrocinnamic acid, m-[(2-fluoroethyl)amino]-, methyl ester, hydrochloride
Common Name English
Benzenepropanoic acid, 3-[(2-fluoroethyl)amino]-, methyl ester, hydrochloride (1:1)
Systematic Name English
Benzenepropanoic acid, 3-[(2-fluoroethyl)amino]-, methyl ester, hydrochloride
Common Name English
Code System Code Type Description
PUBCHEM
14597
Created by admin on Wed Apr 02 18:02:43 GMT 2025 , Edited by admin on Wed Apr 02 18:02:43 GMT 2025
PRIMARY
NSC
79493
Created by admin on Wed Apr 02 18:02:43 GMT 2025 , Edited by admin on Wed Apr 02 18:02:43 GMT 2025
PRIMARY
FDA UNII
5ZT7KKX82F
Created by admin on Wed Apr 02 18:02:43 GMT 2025 , Edited by admin on Wed Apr 02 18:02:43 GMT 2025
PRIMARY
CAS
1212-39-1
Created by admin on Wed Apr 02 18:02:43 GMT 2025 , Edited by admin on Wed Apr 02 18:02:43 GMT 2025
PRIMARY
EPA CompTox
DTXSID70153178
Created by admin on Wed Apr 02 18:02:43 GMT 2025 , Edited by admin on Wed Apr 02 18:02:43 GMT 2025
PRIMARY
Related Record Type Details
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