ChemSpider 2D Image | (1S,2R)-N,N'-Dimethyl-1-phenyl-1,2-propanediamine | C11H18N2

(1S,2R)-N,N'-Dimethyl-1-phenyl-1,2-propanediamine

  • Molecular FormulaC11H18N2
  • Average mass178.274 Da
  • Monoisotopic mass178.147003 Da
  • ChemSpider ID75165017

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2R)-N,N'-Dimethyl-1-phenyl-1,2-propandiamin [German] [ACD/IUPAC Name]
(1S,2R)-N,N'-Dimethyl-1-phenyl-1,2-propanediamine [ACD/IUPAC Name]
(1S,2R)-N,N'-Diméthyl-1-phényl-1,2-propanediamine [French] [ACD/IUPAC Name]
1,2-Propanediamine, N1,N2-dimethyl-1-phenyl-, (1S,2R)- [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: 264.0±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.2±3.0 kJ/mol
Flash Point: 130.5±13.6 °C
Index of Refraction: 1.509
Molar Refractivity: 56.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.48
ACD/LogD (pH 5.5): -1.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 24 Å2
Polarizability: 22.5±0.5 10-24cm3
Surface Tension: 32.6±3.0 dyne/cm
Molar Volume: 190.5±3.0 cm3

Click to predict properties on the Chemicalize site


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