ChemSpider 2D Image | (2S)-3-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-1-ethyl-2-methylpyrrolidine | C22H25N

(2S)-3-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-1-ethyl-2-methylpyrrolidine

  • Molecular FormulaC22H25N
  • Average mass303.441 Da
  • Monoisotopic mass303.198700 Da
  • ChemSpider ID32809847

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-yliden)-1-ethyl-2-methylpyrrolidin [German] [ACD/IUPAC Name]
(2S)-3-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-1-ethyl-2-methylpyrrolidine [ACD/IUPAC Name]
(2S)-3-(10,11-Dihydro-5H-dibenzo[a,d][7]annulén-5-ylidène)-1-éthyl-2-méthylpyrrolidine [French] [ACD/IUPAC Name]
Pyrrolidine, 3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-ethyl-2-methyl-, (2S)- [ACD/Index Name]
16378-21-5 [RN]
Piroheptine [INN] [Wiki]
UNII-AR6Y753ARL

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

Density: 1.1±0.1 g/cm3
Boiling Point: 434.5±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.1±3.0 kJ/mol
Flash Point: 191.7±22.5 °C
Index of Refraction: 1.596
Molar Refractivity: 96.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.57
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 14.07
ACD/KOC (pH 5.5): 37.62
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 558.92
ACD/KOC (pH 7.4): 1493.91
Polar Surface Area: 3 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 284.1±3.0 cm3

Click to predict properties on the Chemicalize site


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