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1886-26-6

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Basic Information
CAS No.: 1886-26-6
Name: Norfenfluramine
Article Data: 2
Molecular Structure:
Molecular Structure of 1886-26-6 (Norfenfluramine)
Formula: C10H12F3N
Molecular Weight: 203.207
Synonyms: JP 92;NSC43036;Norfenfluramine;dl-Norfenfluramine;[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]amine;α-Methyl-m-(trifluoromethyl)phenethylamine;Phenethylamine,a-methyl-m-(trifluoromethyl)-(7CI,8CI);1-[3-(Trifluoromethyl)phenyl]-2-aminopropane;
EINECS: 242-769-7
Density: 1.152 g/cm3
Boiling Point: 215.2 °C at 760 mmHg
Flash Point: 88.9 °C
PSA: 26.02000
LogP: 3.29540
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Specification

The CAS register number of Benzeneethanamine, a-methyl-3-(trifluoromethyl)- is 1886-26-6. It also can be called as α-Methyl-m-(trifluoromethyl)phenethylamine and the IUPAC name about this chemical is 1-[3-(trifluoromethyl)phenyl]propan-2-amine. The molecular formula about this chemical is C10H12F3N and the molecular weight is 203.207189.

Physical properties about Benzeneethanamine, a-methyl-3-(trifluoromethyl)- are: (1)ACD/LogP: 2.38; (2)ACD/LogD (pH 5.5): -0.69; (3)ACD/LogD (pH 7.4): 0.08; (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): 2.36; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 3.24 Å2; (12)Index of Refraction: 1.466; (13)Molar Refractivity: 48.9 cm3; (14)Molar Volume: 176.3 cm3; (15)Polarizability: 19.38x10-24cm3; (16)Surface Tension: 28.4 dyne/cm; (17)Density: 1.152 g/cm3; (18)Flash Point: 88.9 °C; (19)Enthalpy of Vaporization: 45.15 kJ/mol; (20)Boiling Point: 215.2 °C at 760 mmHg; (21)Vapour Pressure: 0.15 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cccc(c1)CC(N)C
(2)InChI: InChI=1/C10H12F3N/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6-7H,5,14H2,1H3
(3)InChIKey: MLBHFBKZUPLWBD-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C10H12F3N/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6-7H,5,14H2,1H3
(5)Std. InChIKey: MLBHFBKZUPLWBD-UHFFFAOYSA-N

The toxicity data are as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 51mg/kg (51mg/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.