ChemSpider 2D Image | (1S)-1-(4-sec-Butylphenyl)ethanamine | C12H19N

(1S)-1-(4-sec-Butylphenyl)ethanamine

  • Molecular FormulaC12H19N
  • Average mass177.286 Da
  • Monoisotopic mass177.151749 Da
  • ChemSpider ID40943857

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(1S)-1-(4-sec-Butylphenyl)ethanamin [German] [ACD/IUPAC Name]
(1S)-1-(4-sec-Butylphenyl)ethanamine [ACD/IUPAC Name]
(1S)-1-(4-sec-Butylphényl)éthanamine [French] [ACD/IUPAC Name]
Benzenemethanamine, α-methyl-4-(1-methylpropyl)-, (αS)- [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: 255.1±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.3±3.0 kJ/mol
Flash Point: 113.1±6.3 °C
Index of Refraction: 1.514
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: 3.31
ACD/LogD (pH 5.5): 0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.08
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 2.16
ACD/KOC (pH 7.4): 19.31
Polar Surface Area: 26 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 33.9±3.0 dyne/cm
Molar Volume: 193.3±3.0 cm3

Click to predict properties on the Chemicalize site


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