ChemSpider 2D Image | (2S)-1-[4-(2-Methyl-2-propanyl)phenyl]-2-propanamine | C13H21N

(2S)-1-[4-(2-Methyl-2-propanyl)phenyl]-2-propanamine

  • Molecular FormulaC13H21N
  • Average mass191.313 Da
  • Monoisotopic mass191.167404 Da
  • ChemSpider ID65336502

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-[4-(2-Methyl-2-propanyl)phenyl]-2-propanamin [German] [ACD/IUPAC Name]
(2S)-1-[4-(2-Methyl-2-propanyl)phenyl]-2-propanamine [ACD/IUPAC Name]
(2S)-1-[4-(2-Méthyl-2-propanyl)phényl]-2-propanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, 4-(1,1-dimethylethyl)-α-methyl-, (αS)- [ACD/Index Name]
(2S)-1-(4-tert-butylphenyl)propan-2-amine
687632-43-5 [RN]
MFCD20458140

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

Density: 0.9±0.1 g/cm3
Boiling Point: 272.0±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.0±3.0 kJ/mol
Flash Point: 123.3±6.3 °C
Index of Refraction: 1.507
Molar Refractivity: 62.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.54
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.40
Polar Surface Area: 26 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 32.0±3.0 dyne/cm
Molar Volume: 209.5±3.0 cm3

Click to predict properties on the Chemicalize site


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