ChemSpider 2D Image | 4-(3-Aminobutyl)-3-chloro-N,N-dimethylaniline | C12H19ClN2

4-(3-Aminobutyl)-3-chloro-N,N-dimethylaniline

  • Molecular FormulaC12H19ClN2
  • Average mass226.746 Da
  • Monoisotopic mass226.123672 Da
  • ChemSpider ID75118759

More details:

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

4-(3-Aminobutyl)-3-chlor-N,N-dimethylanilin [German] [ACD/IUPAC Name]
4-(3-Aminobutyl)-3-chloro-N,N-dimethylaniline [ACD/IUPAC Name]
4-(3-Aminobutyl)-3-chloro-N,N-diméthylaniline [French] [ACD/IUPAC Name]
Benzenepropanamine, 2-chloro-4-(dimethylamino)-α-methyl- [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: 345.2±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.9±3.0 kJ/mol
Flash Point: 162.6±25.1 °C
Index of Refraction: 1.561
Molar Refractivity: 67.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.24
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.51
Polar Surface Area: 29 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 209.3±3.0 cm3

Click to predict properties on the Chemicalize site


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