ChemSpider 2D Image | 2-[4-(3-Methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]ethanamine | C10H19N5S

2-[4-(3-Methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]ethanamine

  • Molecular FormulaC10H19N5S
  • Average mass241.356 Da
  • Monoisotopic mass241.136108 Da
  • ChemSpider ID48538154

More details:

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

1H-1,4-Diazepine-1-ethanamine, hexahydro-4-(3-methyl-1,2,4-thiadiazol-5-yl)- [ACD/Index Name]
2-[4-(3-Methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]ethanamin [German] [ACD/IUPAC Name]
2-[4-(3-Methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]ethanamine [ACD/IUPAC Name]
2-[4-(3-Méthyl-1,2,4-thiadiazol-5-yl)-1,4-diazépan-1-yl]éthanamine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 391.2±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.1±3.0 kJ/mol
Flash Point: 190.4±30.7 °C
Index of Refraction: 1.570
Molar Refractivity: 66.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.50
ACD/LogD (pH 5.5): -3.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 204.0±3.0 cm3

Click to predict properties on the Chemicalize site


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