ChemSpider 2D Image | N-[(1S,4S)-1,4,7,7-Tetramethyl-1,2,3,3a,4,5,5a,6,7,8,9,10,10a,10b-tetradecahydro-1-pyrenyl]formamide | C21H33NO

N-[(1S,4S)-1,4,7,7-Tetramethyl-1,2,3,3a,4,5,5a,6,7,8,9,10,10a,10b-tetradecahydro-1-pyrenyl]formamide

  • Molecular FormulaC21H33NO
  • Average mass315.493 Da
  • Monoisotopic mass315.256226 Da
  • ChemSpider ID24534537

  • defined stereocentres - 2 of 6 defined stereocentres

More details:

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

Formamide, N-[(1S,4S)-1,2,3,3a,4,5,5a,6,7,8,9,10,10a,10b-tetradecahydro-1,4,7,7-tetramethyl-1-pyrenyl]- [ACD/Index Name]
N-[(1S,4S)-1,4,7,7-Tetramethyl-1,2,3,3a,4,5,5a,6,7,8,9,10,10a,10b-tetradecahydro-1-pyrenyl]formamid [German] [ACD/IUPAC Name]
N-[(1S,4S)-1,4,7,7-Tetramethyl-1,2,3,3a,4,5,5a,6,7,8,9,10,10a,10b-tetradecahydro-1-pyrenyl]formamide [ACD/IUPAC Name]
N-[(1S,4S)-1,4,7,7-Tétraméthyl-1,2,3,3a,4,5,5a,6,7,8,9,10,10a,10b-tétradécahydro-1-pyrényl]formamide [French] [ACD/IUPAC Name]
N-[(1S,4S)-1,4,7,7-Tetramethyl-1,2,3,3a,4,5,5a,6,7,8,9,10,10a,10b-tetradecahydropyren-1-yl]formamide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 455.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.6±3.0 kJ/mol
Flash Point: 281.3±8.1 °C
Index of Refraction: 1.542
Molar Refractivity: 94.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.73
ACD/LogD (pH 5.5): 6.41
ACD/BCF (pH 5.5): 43999.08
ACD/KOC (pH 5.5): 73343.11
ACD/LogD (pH 7.4): 6.41
ACD/BCF (pH 7.4): 43999.13
ACD/KOC (pH 7.4): 73343.19
Polar Surface Area: 29 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 39.6±5.0 dyne/cm
Molar Volume: 300.2±5.0 cm3

Click to predict properties on the Chemicalize site


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