Found 642 results

Search term: MF = 'C_{14}H_{13}BrN_{2}S'
ChemSpider 2D Image | 2-({[(5-Bromo-2-thienyl)methyl](methyl)amino}methyl)benzonitrile | C14H13BrN2S

2-({[(5-Bromo-2-thienyl)methyl](methyl)amino}methyl)benzonitrile

  • Molecular FormulaC14H13BrN2S
  • Average mass321.235 Da
  • Monoisotopic mass319.998260 Da
  • ChemSpider ID31060641

More details:

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

2-({[(5-Brom-2-thienyl)methyl](methyl)amino}methyl)benzonitril [German] [ACD/IUPAC Name]
2-({[(5-Bromo-2-thienyl)methyl](methyl)amino}methyl)benzonitrile [ACD/IUPAC Name]
2-({[(5-Bromo-2-thiényl)méthyl](méthyl)amino}méthyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-[[[(5-bromo-2-thienyl)methyl]methylamino]methyl]- [ACD/Index Name]
2-({[(5-BROMOTHIOPHEN-2-YL)METHYL](METHYL)AMINO}METHYL)BENZONITRILE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 389.4±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.9±3.0 kJ/mol
Flash Point: 189.3±26.5 °C
Index of Refraction: 1.648
Molar Refractivity: 79.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 71.75
ACD/KOC (pH 5.5): 432.79
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 444.86
ACD/KOC (pH 7.4): 2683.47
Polar Surface Area: 55 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 218.9±5.0 cm3

Click to predict properties on the Chemicalize site


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