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Search term: XGMLBICNMQKJQY-NSHDSACASA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2S)-2-Amino-N-(2-fluorobenzyl)-N-methylbutanamide | C12H17FN2O

(2S)-2-Amino-N-(2-fluorobenzyl)-N-methylbutanamide

  • Molecular FormulaC12H17FN2O
  • Average mass224.275 Da
  • Monoisotopic mass224.132492 Da
  • ChemSpider ID49124696

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Amino-N-(2-fluorbenzyl)-N-methylbutanamid [German] [ACD/IUPAC Name]
(2S)-2-Amino-N-(2-fluorobenzyl)-N-methylbutanamide [ACD/IUPAC Name]
(2S)-2-Amino-N-(2-fluorobenzyl)-N-méthylbutanamide [French] [ACD/IUPAC Name]
Butanamide, 2-amino-N-[(2-fluorophenyl)methyl]-N-methyl-, (2S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 342.2±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.6±3.0 kJ/mol
Flash Point: 160.8±25.1 °C
Index of Refraction: 1.525
Molar Refractivity: 61.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.26
ACD/LogD (pH 5.5): -1.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.30
Polar Surface Area: 46 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 200.9±3.0 cm3

Click to predict properties on the Chemicalize site


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