ChemSpider 2D Image | (2S)-2-Amino-3-(4-hydroxyphenyl)propanenitrile | C9H10N2O

(2S)-2-Amino-3-(4-hydroxyphenyl)propanenitrile

  • Molecular FormulaC9H10N2O
  • Average mass162.189 Da
  • Monoisotopic mass162.079315 Da
  • ChemSpider ID50788024

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Amino-3-(4-hydroxyphenyl)propanenitrile [ACD/IUPAC Name]
(2S)-2-Amino-3-(4-hydroxyphényl)propanenitrile [French] [ACD/IUPAC Name]
(2S)-2-Amino-3-(4-hydroxyphenyl)propannitril [German] [ACD/IUPAC Name]
Benzenepropanenitrile, α-amino-4-hydroxy-, (αS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 363.9±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.4±3.0 kJ/mol
Flash Point: 173.9±25.1 °C
Index of Refraction: 1.595
Molar Refractivity: 45.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.08
ACD/LogD (pH 5.5): -0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.47
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 30.11
Polar Surface Area: 70 Å2
Polarizability: 18.1±0.5 10-24cm3
Surface Tension: 59.2±3.0 dyne/cm
Molar Volume: 134.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement