Found 4484 results

Search term: MF = 'C_{12}H_{14}BrN_{3}'
ChemSpider 2D Image | 8-Bromo-2-methyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]benzimidazole | C12H14BrN3

8-Bromo-2-methyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]benzimidazole

  • Molecular FormulaC12H14BrN3
  • Average mass280.164 Da
  • Monoisotopic mass279.037109 Da
  • ChemSpider ID28600255

More details:

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

1272321-97-7 [RN]
1H-[1,4]Diazepino[1,7-a]benzimidazole, 8-bromo-2,3,4,5-tetrahydro-2-methyl- [ACD/Index Name]
8-Brom-2-methyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]benzimidazol [German] [ACD/IUPAC Name]
8-Bromo-2-methyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]benzimidazole [ACD/IUPAC Name]
8-Bromo-2-méthyl-2,3,4,5-tétrahydro-1H-[1,4]diazépino[1,7-a]benzimidazole [French] [ACD/IUPAC Name]
8-Bromo-2-methyl-2,3,4,5-tetrahydro-1H-benzo[4,5]imidazo[1,2-d][1,4]diazepine

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

Density: 1.6±0.1 g/cm3
Boiling Point: 448.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.7±3.0 kJ/mol
Flash Point: 225.0±25.9 °C
Index of Refraction: 1.715
Molar Refractivity: 67.6±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.75
ACD/LogD (pH 5.5): -0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 1.09
ACD/KOC (pH 7.4): 12.40
Polar Surface Area: 30 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 52.3±7.0 dyne/cm
Molar Volume: 172.2±7.0 cm3

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