ChemSpider 2D Image | (2S)-1-(4-Nitrophenyl)-2-propanamine | C9H12N2O2

(2S)-1-(4-Nitrophenyl)-2-propanamine

  • Molecular FormulaC9H12N2O2
  • Average mass180.204 Da
  • Monoisotopic mass180.089874 Da
  • ChemSpider ID62840013

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-(4-Nitrophenyl)-2-propanamin [German] [ACD/IUPAC Name]
(2S)-1-(4-Nitrophenyl)-2-propanamine [ACD/IUPAC Name]
(2S)-1-(4-Nitrophényl)-2-propanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, α-methyl-4-nitro-, (αS)- [ACD/Index Name]
(2S)-1-(4-nitrophenyl)propan-2-amine
52373-30-5 [RN]
MFCD20459502

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

Density: 1.2±0.1 g/cm3
Boiling Point: 311.7±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.3±3.0 kJ/mol
Flash Point: 142.3±20.9 °C
Index of Refraction: 1.566
Molar Refractivity: 50.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.54
ACD/LogD (pH 5.5): -1.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.81
Polar Surface Area: 72 Å2
Polarizability: 20.0±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 154.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement