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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H10F3NO2.ClH
Molecular Weight 269.648
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Amino-4-(2,4,5-trifluorophenyl)butanoic acid hydrochloride, (S)-

SMILES

Cl.N[C@H](CC(O)=O)CC1=CC(F)=C(F)C=C1F

InChI

InChIKey=FZHZEWNJQKHBTG-RGMNGODLSA-N
InChI=1S/C10H10F3NO2.ClH/c11-7-4-9(13)8(12)2-5(7)1-6(14)3-10(15)16;/h2,4,6H,1,3,14H2,(H,15,16);1H/t6-;/m0./s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
3-Amino-4-(2,4,5-trifluorophenyl)butanoic acid hydrochloride, (S)-
Systematic Name English
(S)-3-Amino-4-(2,4,5-trifluorophenyl)butanoic acid hydrochloride
Preferred Name English
Benzenebutanoic acid, ?-amino-2,4,5-trifluoro-, hydrochloride (1:1), (?S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
45026931
Created by admin on Wed Apr 02 19:46:27 GMT 2025 , Edited by admin on Wed Apr 02 19:46:27 GMT 2025
PRIMARY
EPA CompTox
DTXSID30661608
Created by admin on Wed Apr 02 19:46:27 GMT 2025 , Edited by admin on Wed Apr 02 19:46:27 GMT 2025
PRIMARY
FDA UNII
W5R65E7EFH
Created by admin on Wed Apr 02 19:46:27 GMT 2025 , Edited by admin on Wed Apr 02 19:46:27 GMT 2025
PRIMARY
CAS
1217809-78-3
Created by admin on Wed Apr 02 19:46:27 GMT 2025 , Edited by admin on Wed Apr 02 19:46:27 GMT 2025
PRIMARY
NIH
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