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(S)-7-Fluorochroman-4-amine

  • Name (S)-7-Fluorochroman-4-amine
  • EINECSN/A
  • CAS No. 1018978-91-0
  • Density1.202 g/cm3
  • PSA35.25000
  • LogP2.30830
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC9H10FNO
  • Boiling Point232.27 °C at 760 mmHg
  • Molecular Weight167.1802032
  • Flash Point94.274 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 1018978-91-0 ((S)-7-Fluorochroman-4-amine)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data4

(S)-7-Fluorochroman-4-amine Specification

The CAS register number of (S)-7-Fluorochroman-4-amine is 1018978-91-0. The systematic name about this chemical is 7-fluoro-3,4-dihydro-2H-chromen-4-amine. The molecular formula about this chemical is C9H10FNO and the molecular weight is 167.1802032.

Physical properties about (S)-7-Fluorochroman-4-amine are: (1)ACD/LogP: 1.69; (2)ACD/LogD (pH 7.4): 0.392; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 9.975; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 35.25 Å2; (11)Index of Refraction: 1.539; (12)Molar Refractivity: 43.579 cm3; (13)Molar Volume: 139.087 cm3; (14)Polarizability: 17.276x10-24cm3; (15)Surface Tension: 42.481 dyne/cm; (16)Density: 1.202 g/cm3; (17)Flash Point: 94.274 °C; (18)Enthalpy of Vaporization: 46.895 kJ/mol; (19)Boiling Point: 232.27 °C at 760 mmHg; (20)Vapour Pressure: 0.06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1F)OCC[C@@H]2N
(2)InChI: InChI=1/C9H10FNO/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-2,5,8H,3-4,11H2/t8-/m0/s1
(3)InChIKey: UMQCCSDLCJERPE-QMMMGPOBBX
(4)Std. InChI: InChI=1S/C9H10FNO/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-2,5,8H,3-4,11H2/t8-/m0/s1
(5)Std. InChIKey: UMQCCSDLCJERPE-QMMMGPOBSA-N

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