ChemSpider 2D Image | N-(4-Iodobenzyl)-1-(1,3-thiazol-2-yl)-1-propanamine | C13H15IN2S

N-(4-Iodobenzyl)-1-(1,3-thiazol-2-yl)-1-propanamine

  • Molecular FormulaC13H15IN2S
  • Average mass358.241 Da
  • Monoisotopic mass358.000061 Da
  • ChemSpider ID48816793

More details:

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

2-Thiazolemethanamine, α-ethyl-N-[(4-iodophenyl)methyl]- [ACD/Index Name]
N-(4-Iodbenzyl)-1-(1,3-thiazol-2-yl)-1-propanamin [German] [ACD/IUPAC Name]
N-(4-Iodobenzyl)-1-(1,3-thiazol-2-yl)-1-propanamine [ACD/IUPAC Name]
N-(4-Iodobenzyl)-1-(1,3-thiazol-2-yl)-1-propanamine [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 384.6±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.3±3.0 kJ/mol
Flash Point: 186.4±23.7 °C
Index of Refraction: 1.636
Molar Refractivity: 82.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 175.14
ACD/KOC (pH 5.5): 1044.26
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 485.31
ACD/KOC (pH 7.4): 2893.54
Polar Surface Area: 53 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 230.3±3.0 cm3

Click to predict properties on the Chemicalize site


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