ChemSpider 2D Image | 7-Fluoro-1-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine | C10H13FN2

7-Fluoro-1-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine

  • Molecular FormulaC10H13FN2
  • Average mass180.222 Da
  • Monoisotopic mass180.106277 Da
  • ChemSpider ID27656046

More details:

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

1334148-13-8 [RN]
1H-1,5-Benzodiazepine, 7-fluoro-2,3,4,5-tetrahydro-1-methyl- [ACD/Index Name]
7-Fluor-1-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin [German] [ACD/IUPAC Name]
7-Fluoro-1-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine [ACD/IUPAC Name]
7-Fluoro-1-méthyl-2,3,4,5-tétrahydro-1H-1,5-benzodiazépine [French] [ACD/IUPAC Name]
MFCD19982508

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

Density: 1.1±0.1 g/cm3
Boiling Point: 291.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.1±3.0 kJ/mol
Flash Point: 129.9±27.3 °C
Index of Refraction: 1.517
Molar Refractivity: 50.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.20
ACD/LogD (pH 5.5): -0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.90
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 3.27
ACD/KOC (pH 7.4): 42.28
Polar Surface Area: 15 Å2
Polarizability: 19.8±0.5 10-24cm3
Surface Tension: 32.5±3.0 dyne/cm
Molar Volume: 165.3±3.0 cm3

Click to predict properties on the Chemicalize site


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