ChemSpider 2D Image | 1-(4-Isopropylphenyl)-2-(3-methylbutyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine | C22H32N2

1-(4-Isopropylphenyl)-2-(3-methylbutyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine

  • Molecular FormulaC22H32N2
  • Average mass324.503 Da
  • Monoisotopic mass324.256561 Da
  • ChemSpider ID22662038

More details:

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

1-(4-Isopropylphenyl)-2-(3-methylbutyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin [German] [ACD/IUPAC Name]
1-(4-Isopropylphenyl)-2-(3-methylbutyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine [ACD/IUPAC Name]
1-(4-Isopropylphényl)-2-(3-méthylbutyl)-2,3,4,5-tétrahydro-1H-pyrrolo[1,2-a][1,4]diazépine [French] [ACD/IUPAC Name]
1H-Pyrrolo[1,2-a][1,4]diazepine, 2,3,4,5-tetrahydro-2-(3-methylbutyl)-1-[4-(1-methylethyl)phenyl]- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 428.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.3±3.0 kJ/mol
Flash Point: 212.9±25.9 °C
Index of Refraction: 1.562
Molar Refractivity: 103.5±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.80
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 16.65
ACD/KOC (pH 5.5): 37.84
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 391.92
ACD/KOC (pH 7.4): 890.81
Polar Surface Area: 8 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 35.2±7.0 dyne/cm
Molar Volume: 319.3±7.0 cm3

Click to predict properties on the Chemicalize site


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