ChemSpider 2D Image | (2S)-(Benzylamino)(4-fluorophenyl)acetic acid | C15H14FNO2

(2S)-(Benzylamino)(4-fluorophenyl)acetic acid

  • Molecular FormulaC15H14FNO2
  • Average mass259.276 Da
  • Monoisotopic mass259.100861 Da
  • ChemSpider ID32674310

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S)-(Benzylamino)(4-fluorophenyl)acetic acid [ACD/IUPAC Name]
(2S)-(Benzylamino)(4-fluorphenyl)essigsäure [German] [ACD/IUPAC Name]
(S)-2-(Benzylamino)-2-(4-fluorophenyl)acetic acid
159707-18-3 [RN]
Acide (2S)-(benzylamino)(4-fluorophényl)acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-fluoro-α-[(phenylmethyl)amino]-, (αS)- [ACD/Index Name]
(2S)-2-(BENZYLAMINO)-2-(4-FLUOROPHENYL)ACETIC ACID
(S)-(BENZYLAMINO)(4-FLUOROPHENYL)ACETIC ACID
MFCD08458062

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 391.9±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 67.7±3.0 kJ/mol
    Flash Point: 190.8±26.5 °C
    Index of Refraction: 1.589
    Molar Refractivity: 70.1±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.58
    ACD/LogD (pH 5.5): 0.35
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.69
    ACD/LogD (pH 7.4): 0.22
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.01
    Polar Surface Area: 49 Å2
    Polarizability: 27.8±0.5 10-24cm3
    Surface Tension: 49.5±3.0 dyne/cm
    Molar Volume: 207.9±3.0 cm3

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