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1-(3-Fluorophenyl)-2-propanamine

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Name

1-(3-Fluorophenyl)-2-propanamine

EINECS
CAS No. 1626-71-7 Density 1.042 g/cm3
Solubility Melting Point
Formula C9H12FN Boiling Point 208.229 °C at 760 mmHg
Molecular Weight 153.10 Flash Point 89.081 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 1626-71-7 (1-(3-Fluorophenyl)-2-propanamine) Hazard Symbols
Synonyms

Phenethylamine,m-fluoro-a-methyl- (7CI,8CI);3-Fluoroamphetamine;PAL 353;

 

1-(3-Fluorophenyl)-2-propanamine Specification

The Benzeneethanamine,3-fluoro-a-methyl-, with the CAS registry number 1626-71-7, is also known as Phenethylamine, m-fluoro-alpha-methyl-.  It belongs to the classification code of Drug / Therapeutic Agent. This chemical's molecular formula is C9H12FN and molecular weight is 153.10. What's more, its systematic name is called 1-(3-Fluorophenyl)-2-propanamine. It is a stimulant drug from the amphetamine family which acts as a monoamine releaser with similar potency to methamphetamine but more selectivity for dopamine and noradrenaline release over serotonin. It is self-administered by mice to a similar extent to related drugs such as 4-fluoroamphetamine and 3-methylamphetamine.

Physical properties about Benzeneethanamine,3-fluoro-a-methyl- are: (1)ACD/LogP: 1.802; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.27; (4)ACD/LogD (pH 7.4): -0.43; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.32; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.02 Å2; (13)Index of Refraction: 1.509; (14)Molar Refractivity: 43.923 cm3; (15)Molar Volume: 147.021 cm3; (16)Polarizability: 17.412×10-24cm3; (17)Surface Tension: 34.843 dyne/cm; (18)Density: 1.042 g/cm3; (19)Flash Point: 89.081 °C; (20)Enthalpy of Vaporization: 44.449 kJ/mol; (21)Boiling Point: 208.229 °C at 760 mmHg; (22)Vapour Pressure: 0.2160 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc(ccc1)CC(N)C
(2) InChI: InChI=1S/C9H12FN/c1-7(11)5-8-3-2-4-9(10)6-8/h2-4,6-7H,5,11H2,1H3
(3) InChIKey: PIOCLGPCMNPZFT-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 63mg/kg (63mg/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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