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ChemSpider 2D Image | (E)-4-((tetrahydro-2H-pyran-2-yloxyimino)methyl)benzimidamide | C13H17N3O2

(E)-4-((tetrahydro-2H-pyran-2-yloxyimino)methyl)benzimidamide

  • Molecular FormulaC13H17N3O2
  • Average mass247.293 Da
  • Monoisotopic mass247.132080 Da
  • ChemSpider ID25058384
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(E)-4-((tetrahydro-2H-pyran-2-yloxyimino)methyl)benzimidamide
4-[(E)-{[(2S)-Tetrahydro-2H-pyran-2-yloxy]imino}methyl]benzenecarboximidamide [ACD/IUPAC Name]
4-[(E)-{[(2S)-Tétrahydro-2H-pyran-2-yloxy]imino}méthyl]benzènecarboximidamide [French] [ACD/IUPAC Name]
4-[(E)-{[(2S)-Tetrahydro-2H-pyran-2-yloxy]imino}methyl]benzolcarboximidamid [German] [ACD/IUPAC Name]
Benzenecarboximidamide, 4-[(E)-[[[(2S)-tetrahydro-2H-pyran-2-yl]oxy]imino]methyl]- [ACD/Index Name]
O04

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

Density: 1.3±0.1 g/cm3
Boiling Point: 390.8±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.0±3.0 kJ/mol
Flash Point: 190.1±30.7 °C
Index of Refraction: 1.599
Molar Refractivity: 67.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.63
ACD/LogD (pH 5.5): -0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.23
ACD/LogD (pH 7.4): -0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.25
Polar Surface Area: 81 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 196.2±7.0 cm3

Click to predict properties on the Chemicalize site






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