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Details

Stereochemistry ACHIRAL
Molecular Formula C9H10F3N
Molecular Weight 189.1776
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Trifluoromethylphenethylamine

SMILES

NCCC1=CC(=CC=C1)C(F)(F)F

InChI

InChIKey=BPVYCXMGJPKOTQ-UHFFFAOYSA-N
InChI=1S/C9H10F3N/c10-9(11,12)8-3-1-2-7(6-8)4-5-13/h1-3,6H,4-5,13H2

HIDE SMILES / InChI

Molecular Formula C9H10F3N
Molecular Weight 189.1776
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 Sat Dec 16 12:05:28 GMT 2023
Edited
by admin
on Sat Dec 16 12:05:28 GMT 2023
Record UNII
49F5H9E5Y4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Trifluoromethylphenethylamine
Systematic Name English
m-(Trifluoromethyl)phenethylamine
Systematic Name English
2-(3-Trifluoromethylphenyl)ethanamine
Systematic Name English
3-(Trifluoromethyl)benzeneethanamine
Systematic Name English
Phenethylamine, m-trifluoromethyl-
Systematic Name English
Benzeneethanamine, 3-(trifluoromethyl)-
Systematic Name English
Code System Code Type Description
CAS
52516-30-0
Created by admin on Sat Dec 16 12:05:28 GMT 2023 , Edited by admin on Sat Dec 16 12:05:28 GMT 2023
PRIMARY
ECHA (EC/EINECS)
257-988-3
Created by admin on Sat Dec 16 12:05:28 GMT 2023 , Edited by admin on Sat Dec 16 12:05:28 GMT 2023
PRIMARY
FDA UNII
49F5H9E5Y4
Created by admin on Sat Dec 16 12:05:28 GMT 2023 , Edited by admin on Sat Dec 16 12:05:28 GMT 2023
PRIMARY
EPA CompTox
DTXSID90200517
Created by admin on Sat Dec 16 12:05:28 GMT 2023 , Edited by admin on Sat Dec 16 12:05:28 GMT 2023
PRIMARY
PUBCHEM
104223
Created by admin on Sat Dec 16 12:05:28 GMT 2023 , Edited by admin on Sat Dec 16 12:05:28 GMT 2023
PRIMARY