CAS No.23602-78-0,BENFLUOREX HYDROCHLORIDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	23602-78-0
Name:	BENFLUOREX HYDROCHLORIDE
Article Data:	3

Formula:	C₁₉H₂₀F₃NO₂
Molecular Weight:	351.369
Synonyms:	Ethanol,2-[[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]amino]-, benzoate (ester)(9CI);Ethanol, 2-[[a-methyl-m-(trifluoromethyl)phenethyl]amino]-,benzoate (ester) (8CI);1-(m-Trifluoromethylphenyl)-2-([b-benzoyloxyethyl]-amino)propane;1-(m-Trifluoromethylphenyl)-2-(benzoyloxy)ethylaminopropane;Benfluramate;Minolip;N-(2-Benzoyloxyethyl)norfenfluramine;SE 780;
EINECS:	245-801-8
Density:	1.183 g/cm³
Boiling Point:	420.5 °C at 760 mmHg
Flash Point:	208.1 °C
PSA:	38.33000
LogP:	5.27590

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Specification

The Ethanol,2-[[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]amino]-, 1-benzoate, with the CAS registry number 23602-78-0, is also known as N-(2-Benzoyloxyethyl)norfenfluramine. This chemical's molecular formula is C₁₉H₂₀F₃NO₂ and molecular weight is 351.36281. Its IUPAC name is called 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl benzoate. This chemical's classification codes are Anti-Obesity Agents; Antilipemic agents; Antimetabolites; Appetite depressants; Central Nervous System Agents; Drug / Therapeutic Agent.

Physical properties of Ethanol,2-[[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]amino]-, 1-benzoate: (1)ACD/LogP: 4.80; (2)ACD/LogD (pH 5.5): 2.01; (3)ACD/LogD (pH 7.4): 3.59; (4)ACD/BCF (pH 5.5): 4.22; (5)ACD/BCF (pH 7.4): 161.09; (6)ACD/KOC (pH 5.5): 15.66; (7)ACD/KOC (pH 7.4): 597.77; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 8; (11)Index of Refraction: 1.515; (12)Molar Refractivity: 89.57 cm³; (13)Molar Volume: 296.7 cm³; (14)Surface Tension: 35.8 dyne/cm; (15)Density: 1.183 g/cm³; (16)Flash Point: 208.1 °C; (17)Enthalpy of Vaporization: 67.43 kJ/mol; (18)Boiling Point: 420.5 °C at 760 mmHg; (19)Vapour Pressure: 2.81E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)C2=CC=CC=C2
(2)InChI: InChI=1S/C19H20F3NO2/c1-14(12-15-6-5-9-17(13-15)19(20,21)22)23-10-11-25-18(24)16-7-3-2-4-8-16/h2-9,13-14,23H,10-12H2,1H3
(3)InChIKey: CJAVTWRYCDNHSM-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	108mg/kg (108mg/kg)		"International Symposium on Amphetamines and Related Compounds, Proceedings, Mario Negri Institute for Pharmacological Research, Milan, 1969," Costa, E., and S. Garattini, eds., New York, Raven Press, 1970Vol. -, Pg. 21, 1970.
mouse	LD50	oral	2300mg/kg (2300mg/kg)		"International Symposium on Amphetamines and Related Compounds, Proceedings, Mario Negri Institute for Pharmacological Research, Milan, 1969," Costa, E., and S. Garattini, eds., New York, Raven Press, 1970Vol. -, Pg. 21, 1970.