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3239-45-0

Basic Information
CAS No.: 3239-45-0
Name: (+)-Fenfluramine hydrochloride
Article Data: 5
Molecular Structure:
Molecular Structure of 3239-45-0 ((+)-Fenfluramine hydrochloride)
Formula: C12H16F3N.HCl
Molecular Weight: 267.722
Synonyms: Benzeneethanamine,N-ethyl-a-methyl-3-(trifluoromethyl)-,hydrochloride, (S)-;Benzeneethanamine, N-ethyl-a-methyl-3-(trifluoromethyl)-, hydrochloride, (aS)- (9CI);Phenethylamine,N-ethyl-a-methyl-m-(trifluoromethyl)-,hydrochloride, (+)- (8CI);(+)-Fenfluramine hydrochloride;Adifax;Adipomin;Dexfenfluramine hydrochloride;Glypolix;Isomeride;S 5614 HCl;S 5614hydrochloride;d-Fenfluramine hydrochloride;
EINECS: 221-806-0
Melting Point: 159-163 °C
Boiling Point: 243.1 °C at 760 mmHg
Flash Point: 100.8 °C
Appearance: White Crystalline Powder
Hazard Symbols: ToxicT
Risk Codes: 23/24/25
Safety: 22-36/37/39-45
Transport Information: UN 2811
PSA: 12.03000
LogP: 4.43880
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Specification

The CAS register number of Dexfenfluramine hydrochloride is 3239-45-0. It also can be called as (S)-N-Ethyl-alpha-methyl-3-(trifluoromethyl)benzeneethanamine hydrochloride and the IUPAC name about this chemical is (2S)-N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine hydrochloride. The molecular formula about this chemical is C12H16F3N.HCl and the molecular weight is 267.72. It belongs to the following product categories, such as Intermediates & Fine Chemicals; Pharmaceuticals and so on. This chemical is a serotonin agonist and is used as an anorectic. Unlike fenfluramine, it does not possess any catecholamine agonist activity.

Physical properties about Dexfenfluramine hydrochloride are: (1)ACD/LogP: 3.05; (2)ACD/LogD (pH 5.5): -0.04; (3)ACD/LogD (pH 7.4): 0.4; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 2.45; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 3.24Å2; (12)Flash Point: 100.8 °C; (13)Enthalpy of Vaporization: 48.01 kJ/mol; (14)Boiling Point: 243.1 °C at 760 mmHg; (15)Vapour Pressure: 0.0327 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic by inhalation, in contact with skin and if swallowed. When you are using it, wear suitable protective clothing, gloves and eye/face protection, you need do not breathe dust. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cccc(c1)C[C@@H](NCC)C.Cl
(2)InChI: InChI=1/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/t9-;/m0./s1
(3)InChIKey: ZXKXJHAOUFHNAS-FVGYRXGTBF
(4)Std. 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/t9-;/m0./s1
(5)Std. InChIKey: ZXKXJHAOUFHNAS-FVGYRXGTSA-N