ChemSpider 2D Image | DLX-ISO3 | C18H19NOS

DLX-ISO3

  • Molecular FormulaC18H19NOS
  • Average mass297.415 Da
  • Monoisotopic mass297.118744 Da
  • ChemSpider ID32698452

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-N-Methyl-3-(1-naphthyloxy)-3-(3-thienyl)-1-propanamin [German] [ACD/IUPAC Name]
(3S)-N-Methyl-3-(1-naphthyloxy)-3-(3-thienyl)-1-propanamine [ACD/IUPAC Name]
(3S)-N-Méthyl-3-(1-naphtyloxy)-3-(3-thiényl)-1-propanamine [French] [ACD/IUPAC Name]
3-Thiophenepropanamine, N-methyl-γ-(1-naphthalenyloxy)-, (γS)- [ACD/Index Name]
84W310TAYD
959392-22-4 [RN]
DLX-ISO3
(S)-N-Methyl-3-(naphthalen-1-yloxy)-3-(thiophen-3-yl)propan-1-amine
methyl[(3S)-3-(naphthalen-1-yloxy)-3-(thiophen-3-yl)propyl]amine
UNII:84W310TAYD
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 466.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 235.7±27.3 °C
Index of Refraction: 1.628
Molar Refractivity: 91.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.02
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 1.81
ACD/KOC (pH 7.4): 9.88
Polar Surface Area: 50 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 256.8±3.0 cm3

Click to predict properties on the Chemicalize site


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