ChemSpider 2D Image | 2-({[(1S)-1-Phenylethyl]amino}methyl)aniline | C15H18N2

2-({[(1S)-1-Phenylethyl]amino}methyl)aniline

  • Molecular FormulaC15H18N2
  • Average mass226.317 Da
  • Monoisotopic mass226.147003 Da
  • ChemSpider ID37287372

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-({[(1S)-1-Phenylethyl]amino}methyl)anilin [German] [ACD/IUPAC Name]
2-({[(1S)-1-Phenylethyl]amino}methyl)aniline [ACD/IUPAC Name]
2-({[(1S)-1-Phényléthyl]amino}méthyl)aniline [French] [ACD/IUPAC Name]
Benzenemethanamine, N-[(2-aminophenyl)methyl]-α-methyl-, (αS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 367.3±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.4±3.0 kJ/mol
Flash Point: 207.2±25.9 °C
Index of Refraction: 1.605
Molar Refractivity: 72.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): -0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 1.94
ACD/KOC (pH 7.4): 22.76
Polar Surface Area: 38 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 211.3±3.0 cm3

Click to predict properties on the Chemicalize site


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