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Fenfluramine Hydrochloride
CAS: 404-82-0 | C12H17ClF3N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
404-82-0
Molecular Formula:
C12H17ClF3N
Molecular Mass:
267.72 g/mol
Names and Synonyms:
Fenfluramine Hydrochloride
Benzeneethanamine, N-ethyl-α-methyl-3-(trifluoromethyl)-, hydrochloride (1:1)
Phenethylamine, N-ethyl-α-methyl-m-(trifluoromethyl)-, hydrochloride
Benzeneethanamine, N-ethyl-α-methyl-3-(trifluoromethyl)-, hydrochloride
HHR-965
N-Ethyl-α-methyl-m-(trifluoromethyl)phenethylamine hydrochloride
Fenfluramine hydrochloride
Ponderal
Ponderax
Ponderex
1-(m-Trifluoromethylphenyl)-2-(ethylamino)propane hydrochloride
Ganal
Pondimin
(±)-Fenfluramine chloride
(±)-Fenfluramine hydrochloride
dl-Fenfluramine hydrochloride
Racemic fenfluramine hydrochloride
Pondmin
S 768
ZX 008
Fintepla
Identifiers:
SMILES:
CCNC(C)Cc1cccc(C(F)(F)F)c1.Cl
InChI:
InChI=1S/C12H16F3N.ClH/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15;/h4-6,8-9,16H,3,7H2,1-2H3;1H
Key Properties
Boiling Point
108-112 °C @ Press: 12 Torr
CAS Common Chemistry
Melting Point
160-161 °C @ Solvent: Ethyl acetate
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 267.72 g/mol | CAS Common Chemistry |
| 267.7219999999999 g/mol | RDKit | |
| 267.100161884 g/mol | RDKit | |
| Boiling Point | 108-112 °C @ Press: 12 Torr | CAS Common Chemistry |
| Canonical SMILES | Cl.FC(F)(F)C=1C=CC=C(C1)CC(NCC)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H16F3N.ClH/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15;/h4-6,8-9,16H,3,7H2,1-2H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=ZXKXJHAOUFHNAS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 160-161 °C @ Solvent: Ethyl acetate | CAS Common Chemistry |
| Name | Fenfluramine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 3.667700000000003 | RDKit |
| Molar Refractivity | 65.53470000000002 | RDKit |
