ChemSpider 2D Image | (2R,4S)-4-(Dimethylamino)-2-isopropyl-2-phenylpentanenitrile | C16H24N2

(2R,4S)-4-(Dimethylamino)-2-isopropyl-2-phenylpentanenitrile

  • Molecular FormulaC16H24N2
  • Average mass244.375 Da
  • Monoisotopic mass244.193954 Da
  • ChemSpider ID64873333

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,4S)-4-(Dimethylamino)-2-isopropyl-2-phenylpentanenitrile [ACD/IUPAC Name]
(2R,4S)-4-(Diméthylamino)-2-isopropyl-2-phénylpentanenitrile [French] [ACD/IUPAC Name]
(2R,4S)-4-(Dimethylamino)-2-isopropyl-2-phenylpentannitril [German] [ACD/IUPAC Name]
Benzeneacetonitrile, α-[(2S)-2-(dimethylamino)propyl]-α-(1-methylethyl)-, (αR)- [ACD/Index Name]
77-51-0 [RN]
Isoaminile [INN] [Wiki]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 346.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.0±3.0 kJ/mol
Flash Point: 136.2±15.2 °C
Index of Refraction: 1.504
Molar Refractivity: 76.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.88
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 10.19
ACD/KOC (pH 7.4): 63.69
Polar Surface Area: 27 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 34.7±3.0 dyne/cm
Molar Volume: 256.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement