ChemSpider 2D Image | N-[(1S,5S)-Adamantan-2-yl]-3,4,5-trimethoxybenzenecarboximidic acid | C20H27NO4

N-[(1S,5S)-Adamantan-2-yl]-3,4,5-trimethoxybenzenecarboximidic acid

  • Molecular FormulaC20H27NO4
  • Average mass345.433 Da
  • Monoisotopic mass345.194000 Da
  • ChemSpider ID57299776

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

Acide N-[(1S,5S)-adamantan-2-yl]-3,4,5-triméthoxybenzènecarboximidique [French] [ACD/IUPAC Name]
Benzenecarboximidic acid, 3,4,5-trimethoxy-N-[(1S,5S)-tricyclo[3.3.1.13,7]dec-2-yl]- [ACD/Index Name]
N-[(1S,5S)-Adamantan-2-yl]-3,4,5-trimethoxybenzenecarboximidic acid [ACD/IUPAC Name]
N-[(1S,5S)-Adamantan-2-yl]-3,4,5-trimethoxybenzolcarboximidsäure [German] [ACD/IUPAC Name]
N-(2-adamantyl)-3,4,5-trimethoxybenzamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 500.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 256.7±32.9 °C
Index of Refraction: 1.628
Molar Refractivity: 92.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 8.47
ACD/KOC (pH 5.5): 47.47
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 8.44
ACD/KOC (pH 7.4): 47.25
Polar Surface Area: 60 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 44.0±7.0 dyne/cm
Molar Volume: 259.3±7.0 cm3

Click to predict properties on the Chemicalize site


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