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Benzeneethanamine, 3-fluoro-N-methyl- (9CI)

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  • Name Benzeneethanamine, 3-fluoro-N-methyl- (9CI)
  • EINECSN/A
  • CAS No. 515137-48-1
  • Density1.009 g/cm3
  • PSA12.03000
  • LogP1.97850
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC9H12FN
  • Boiling Point200.959 °C at 760 mmHg
  • Molecular Weight153.1966832
  • Flash Point75.338 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 515137-48-1 (Benzeneethanamine, 3-fluoro-N-methyl- (9CI))
  • Hazard SymbolsN/A
  • SynonymsN/A

Benzeneethanamine, 3-fluoro-N-methyl- (9CI) Specification

The CAS register number of Benzeneethanamine, 3-fluoro-N-methyl- (9CI) is 515137-48-1. The systematic name about this chemical is 2-(3-fluorophenyl)-N-methylethanamine. The molecular formula about this chemical is C9H12FN and the molecular weight is 153.1966832.

Physical properties about Benzeneethanamine, 3-fluoro-N-methyl- (9CI) are: (1)ACD/LogP: 1.86; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 1; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 12.03 Å2; (10)Index of Refraction: 1.492; (11)Molar Refractivity: 44.024 cm3; (12)Molar Volume: 151.783 cm3; (13)Polarizability: 17.452x10-24cm3; (14)Surface Tension: 31.205 dyne/cm; (15)Density: 1.009 g/cm3; (16)Flash Point: 75.338 °C; (17)Enthalpy of Vaporization: 43.717 kJ/mol; (18)Boiling Point: 200.959 °C at 760 mmHg; (19)Vapour Pressure: 0.316 mmHg at 25 °C.

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

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