ChemSpider 2D Image | N-[(3R,5S)-Adamantan-1-yl]-2-iodobenzenecarboximidic acid | C17H20INO

N-[(3R,5S)-Adamantan-1-yl]-2-iodobenzenecarboximidic acid

  • Molecular FormulaC17H20INO
  • Average mass381.251 Da
  • Monoisotopic mass381.058960 Da
  • ChemSpider ID57273153

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Acide N-[(3R,5S)-adamantan-1-yl]-2-iodobenzènecarboximidique [French] [ACD/IUPAC Name]
Benzenecarboximidic acid, 2-iodo-N-[(3R,5S)-tricyclo[3.3.1.13,7]dec-1-yl]- [ACD/Index Name]
N-[(3R,5S)-Adamantan-1-yl]-2-iodbenzolcarboximidsäure [German] [ACD/IUPAC Name]
N-[(3R,5S)-Adamantan-1-yl]-2-iodobenzenecarboximidic acid [ACD/IUPAC Name]
N-(1-adamantyl)-2-iodobenzamide

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

Density: 1.8±0.1 g/cm3
Boiling Point: 466.7±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.8±3.0 kJ/mol
Flash Point: 236.1±29.3 °C
Index of Refraction: 1.742
Molar Refractivity: 87.8±0.5 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 31.16
ACD/KOC (pH 5.5): 116.22
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 31.05
ACD/KOC (pH 7.4): 115.82
Polar Surface Area: 33 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 56.2±7.0 dyne/cm
Molar Volume: 217.2±7.0 cm3

Click to predict properties on the Chemicalize site


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