ChemSpider 2D Image | (2R)-1-(3,5-Dimethylphenyl)-2-butanamine | C12H19N

(2R)-1-(3,5-Dimethylphenyl)-2-butanamine

  • Molecular FormulaC12H19N
  • Average mass177.286 Da
  • Monoisotopic mass177.151749 Da
  • ChemSpider ID50687226

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-1-(3,5-Dimethylphenyl)-2-butanamin [German] [ACD/IUPAC Name]
(2R)-1-(3,5-Dimethylphenyl)-2-butanamine [ACD/IUPAC Name]
(2R)-1-(3,5-Diméthylphényl)-2-butanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, α-ethyl-3,5-dimethyl-, (αR)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 269.0±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.7±3.0 kJ/mol
Flash Point: 111.8±8.5 °C
Index of Refraction: 1.519
Molar Refractivity: 58.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.98
Polar Surface Area: 26 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 191.9±3.0 cm3

Click to predict properties on the Chemicalize site


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