Benzeneethanamine,2-fluoro-a-methyl- supplier

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Name
1-(2-FLUOROPHENYL)PROPAN-2-AMINE
EINECS
CAS No. 1716-60-5
Article Data1
CAS DataBase
Density 1.042 g/cm³
Solubility
Melting Point
Formula C₉H₁₂FN
Boiling Point 210.8 °C at 760 mmHg
Molecular Weight 153.199
Flash Point 90.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 26.02000
LogP 2.41570

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.

Product Name

1-(2-FLUOROPHENYL)PROPAN-2-AMINE

Benzeneethanamine,2-fluoro-a-methyl- Specification

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