ChemSpider 2D Image | (3R)-4-Amino-3-(4-fluorophenyl)butanoic acid | C10H12FNO2

(3R)-4-Amino-3-(4-fluorophenyl)butanoic acid

  • Molecular FormulaC10H12FNO2
  • Average mass197.206 Da
  • Monoisotopic mass197.085205 Da
  • ChemSpider ID23147298
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3R)-4-Amino-3-(4-fluorophenyl)butanoic acid [ACD/IUPAC Name]
(3R)-4-Amino-3-(4-fluorphenyl)butansäure [German] [ACD/IUPAC Name]
Acide (3R)-4-amino-3-(4-fluorophényl)butanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, β-(aminomethyl)-4-fluoro-, (βR)- [ACD/Index Name]
(3R)-4-azaniumyl-3-(4-fluorophenyl)butanoate
(R)-4-AMINO-3-(4-FLUOROPHENYL)BUTANOIC ACID
(R)-4-Amino-3-(4-Fluorophenyl)butanoic Acid (en)
(R)-4-amino-3-(4-fluorophenyl)butanoicacid
(S)-4-AMINO-3-(4-FLUOROPHENYL)BUTANOIC ACID
[741217-33-4]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-39063]
    • Safety:

      20/21/22 Novochemy [NC-39063]
      20/21/36/37/39 Novochemy [NC-39063]
      GHS07; GHS09 Novochemy [NC-39063]
      H304; H403 Novochemy [NC-39063]
      P102; P210; P262; P270; P302+P352; P308+P313 Novochemy [NC-39063]
      R22 Novochemy [NC-39063]
      Warning Novochemy [NC-39063]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 329.1±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.3±3.0 kJ/mol
Flash Point: 152.9±25.1 °C
Index of Refraction: 1.546
Molar Refractivity: 50.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.02
ACD/LogD (pH 5.5): -1.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 19.9±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 158.5±3.0 cm3

Click to predict properties on the Chemicalize site






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