ChemSpider 2D Image | 4-NEMD | C15H14N2

4-NEMD

  • Molecular FormulaC15H14N2
  • Average mass222.285 Da
  • Monoisotopic mass222.115692 Da
  • ChemSpider ID24531958
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1H-Imidazole, 5-[(1S)-1-(1-naphthalenyl)ethyl]- [ACD/Index Name]
4-[(1S)-1-(1-Naphthyl)ethyl]-1H-imidazol [German] [ACD/IUPAC Name]
4-[(1S)-1-(1-Naphthyl)ethyl]-1H-imidazole [ACD/IUPAC Name]
4-[(1S)-1-(1-Naphtyl)éthyl]-1H-imidazole [French] [ACD/IUPAC Name]
4-NEMD
5-[(1S)-1-(1-Naphthyl)ethyl]-1H-imidazole
1H-IMIDAZOLE, 4-[1-(1-NAPHTHALENYL)ETHYL]-, (S)-
4-(1-Naphthalen-1-ylethyl)-1H-imidazole

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 447.9±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.9±3.0 kJ/mol
Flash Point: 242.2±6.5 °C
Index of Refraction: 1.657
Molar Refractivity: 70.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 26.04
ACD/KOC (pH 5.5): 154.90
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 402.56
ACD/KOC (pH 7.4): 2394.78
Polar Surface Area: 29 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 191.8±3.0 cm3

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