ChemSpider 2D Image | N'-(3-{[(3R)-3-Pyrrolidinyloxy]methyl}phenyl)-2-thiophenecarboximidamide | C16H19N3OS

N'-(3-{[(3R)-3-Pyrrolidinyloxy]methyl}phenyl)-2-thiophenecarboximidamide

  • Molecular FormulaC16H19N3OS
  • Average mass301.407 Da
  • Monoisotopic mass301.124878 Da
  • ChemSpider ID35034467

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Thiophenecarboximidamide, N'-[3-[[(3R)-3-pyrrolidinyloxy]methyl]phenyl]- [ACD/Index Name]
N'-(3-{[(3R)-3-Pyrrolidinyloxy]methyl}phenyl)-2-thiophencarboximidamid [German] [ACD/IUPAC Name]
N'-(3-{[(3R)-3-Pyrrolidinyloxy]methyl}phenyl)-2-thiophenecarboximidamide [ACD/IUPAC Name]
N'-(3-{[(3R)-3-Pyrrolidinyloxy]méthyl}phényl)-2-thiophènecarboximidamide [French] [ACD/IUPAC Name]
N-[3-[[(3r)-Pyrrolidin-3-Yl]oxymethyl]phenyl]thiophene-2-Carboximidamide
UGT

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

Density: 1.3±0.1 g/cm3
Boiling Point: 489.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 249.6±31.5 °C
Index of Refraction: 1.663
Molar Refractivity: 85.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.94
ACD/LogD (pH 5.5): -0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.96
Polar Surface Area: 88 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 52.2±7.0 dyne/cm
Molar Volume: 231.9±7.0 cm3

Click to predict properties on the Chemicalize site


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