ChemSpider 2D Image | (2R)-3-(4-Methylphenyl)-2-butanamine | C11H17N

(2R)-3-(4-Methylphenyl)-2-butanamine

  • Molecular FormulaC11H17N
  • Average mass163.259 Da
  • Monoisotopic mass163.136093 Da
  • ChemSpider ID71106828

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2R)-3-(4-Methylphenyl)-2-butanamin [German] [ACD/IUPAC Name]
(2R)-3-(4-Methylphenyl)-2-butanamine [ACD/IUPAC Name]
(2R)-3-(4-Méthylphényl)-2-butanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, α,β,4-trimethyl-, (αR)- [ACD/Index Name]
(2R)-3-(4-methylphenyl)butan-2-amine
2248213-91-2 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 240.3±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.7±3.0 kJ/mol
Flash Point: 104.1±6.3 °C
Index of Refraction: 1.517
Molar Refractivity: 53.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.61
ACD/LogD (pH 5.5): -0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.51
Polar Surface Area: 26 Å2
Polarizability: 21.2±0.5 10-24cm3
Surface Tension: 34.1±3.0 dyne/cm
Molar Volume: 176.3±3.0 cm3

Click to predict properties on the Chemicalize site


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