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Dexfenfluramine hydrochloride

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Name

Dexfenfluramine hydrochloride

EINECS 221-806-0
CAS No. 3239-45-0 Density N/A
PSA 12.03000 LogP 4.43880
Solubility N/A Melting Point 159-163 °C
Formula C12H16F3N.HCl Boiling Point 243.1 °C at 760 mmHg
Molecular Weight 267.722 Flash Point 100.8 °C
Transport Information UN 2811 Appearance White Crystalline Powder
Safety 22-36/37/39-45 Risk Codes 23/24/25
Molecular Structure Molecular Structure of 3239-45-0 ((+)-Fenfluramine hydrochloride) Hazard Symbols ToxicT
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;

Article Data 5

Dexfenfluramine hydrochloride 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

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