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Benzeneethanamine,2-fluoro-a-methyl-

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Name

Benzeneethanamine,2-fluoro-a-methyl-

EINECS N/A
CAS No. 1716-60-5 Density 1.042 g/cm3
PSA 26.02000 LogP 2.41570
Solubility N/A Melting Point N/A
Formula C9H12FN Boiling Point 210.8 °C at 760 mmHg
Molecular Weight 153.199 Flash Point 90.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1716-60-5 (1-(2-FLUOROPHENYL)PROPAN-2-AMINE) Hazard Symbols N/A
Synonyms

Phenethylamine,o-fluoro-a-methyl- (7CI,8CI);2-Fluoroamphetamine;o-Fluoro-alpha-methylphenethylamine;benzeneethanamine, 2-fluoro-α-methyl-;1-(2-fluorophenyl)propan-2-amine;monofluoroamphetamine;

Article Data 1

Benzeneethanamine,2-fluoro-a-methyl- Specification

The Benzeneethanamine,2-fluoro-a-methyl-, with the CAS registry number 1716-60-5, has the systematic name of 1-(2-fluorophenyl)propan-2-amine. It is also known as o-Fluoro-alpha-methylphenethylamine. And the molecular formula of this chemical is C9H12FN.

The physical properties of Benzeneethanamine,2-fluoro-a-methyl- are as following: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.19; (4)ACD/LogD (pH 7.4): -0.21; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 2.07; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.509; (14)Molar Refractivity: 43.92 cm3; (15)Molar Volume: 147 cm3; (16)Polarizability: 17.41×10-24cm3; (17)Surface Tension: 34.8 dyne/cm; (18)Density: 1.042 g/cm3; (19)Flash Point: 90.8 °C; (20)Enthalpy of Vaporization: 44.71 kJ/mol; (21)Boiling Point: 210.8 °C at 760 mmHg; (22)Vapour Pressure: 0.188 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccccc1CC(N)C
(2)InChI: InChI=1/C9H12FN/c1-7(11)6-8-4-2-3-5-9(8)10/h2-5,7H,6,11H2,1H3
(3)InChIKey: GDSXNLDTQFFIEU-UHFFFAOYAL

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/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.

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