ChemSpider 2D Image | (2S)-2-Amino-3-phenylpropanenitrile | C9H10N2

(2S)-2-Amino-3-phenylpropanenitrile

  • Molecular FormulaC9H10N2
  • Average mass146.189 Da
  • Monoisotopic mass146.084396 Da
  • ChemSpider ID19900444

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Amino-3-phenylpropanenitrile [ACD/IUPAC Name]
(2S)-2-Amino-3-phénylpropanenitrile [French] [ACD/IUPAC Name]
(2S)-2-Amino-3-phenylpropannitril [German] [ACD/IUPAC Name]
Benzenepropanenitrile, α-amino-, (αS)- [ACD/Index Name]
(S)-2-Amino-3-phenylpropanenitrile
(S)-2-Amino-3-phenylpropanenitrile|(2S)-2-Amino-3-phenylpropanenitrile
159517-27-8 [RN]
73148-70-6 [RN]
MFCD03093743 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 285.2±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.4±3.0 kJ/mol
Flash Point: 126.3±24.0 °C
Index of Refraction: 1.557
Molar Refractivity: 43.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.81
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 2.37
ACD/KOC (pH 5.5): 58.01
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 3.43
ACD/KOC (pH 7.4): 84.00
Polar Surface Area: 50 Å2
Polarizability: 17.4±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 136.2±3.0 cm3

Click to predict properties on the Chemicalize site


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