ChemSpider 2D Image | [(1r,7r)-3,5-Dimethyladamantan-1-yl]imidoformic acid | C13H21NO

[(1r,7r)-3,5-Dimethyladamantan-1-yl]imidoformic acid

  • Molecular FormulaC13H21NO
  • Average mass207.312 Da
  • Monoisotopic mass207.162308 Da
  • ChemSpider ID57262896

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(1r,7r)-3,5-Dimethyladamantan-1-yl]imidoameisensäure [German] [ACD/IUPAC Name]
[(1r,7r)-3,5-Dimethyladamantan-1-yl]imidoformic acid [ACD/IUPAC Name]
Acide [(1r,7r)-3,5-diméthyladamantan-1-yl]imidoformique [French] [ACD/IUPAC Name]
Methanimidic acid, (3,5-dimethyltricyclo[3.3.1.13,7]dec-1-yl)- [ACD/Index Name]
351329-88-9 [RN]
N-[(3R,5S)-3,5-DIMETHYL-1-ADAMANTYL]FORMAMIDE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 306.5±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 63.4±6.0 kJ/mol
Flash Point: 185.1±12.4 °C
Index of Refraction: 1.611
Molar Refractivity: 59.9±0.5 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 10.54
ACD/KOC (pH 5.5): 66.13
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 10.72
ACD/KOC (pH 7.4): 67.23
Polar Surface Area: 33 Å2
Polarizability: 23.8±0.5 10-24cm3
Surface Tension: 44.9±7.0 dyne/cm
Molar Volume: 172.7±7.0 cm3

Click to predict properties on the Chemicalize site


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