ChemSpider 2D Image | N-[2-(1H-1,2,4-Triazol-3-ylsulfanyl)ethyl]-3-piperidinamine | C9H17N5S

N-[2-(1H-1,2,4-Triazol-3-ylsulfanyl)ethyl]-3-piperidinamine

  • Molecular FormulaC9H17N5S
  • Average mass227.330 Da
  • Monoisotopic mass227.120468 Da
  • ChemSpider ID29609282

More details:

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

3-Piperidinamine, N-[2-(1H-1,2,4-triazol-5-ylthio)ethyl]- [ACD/Index Name]
N-[2-(1H-1,2,4-Triazol-3-ylsulfanyl)ethyl]-3-piperidinamin [German] [ACD/IUPAC Name]
N-[2-(1H-1,2,4-Triazol-3-ylsulfanyl)ethyl]-3-piperidinamine [ACD/IUPAC Name]
N-[2-(1H-1,2,4-Triazol-3-ylsulfanyl)éthyl]-3-pipéridinamine [French] [ACD/IUPAC Name]
N-[2-(1H-1,2,4-triazol-5-ylthio)ethyl]piperidin-3-amine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 447.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.6±3.0 kJ/mol
Flash Point: 224.4±31.5 °C
Index of Refraction: 1.597
Molar Refractivity: 61.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.04
ACD/LogD (pH 5.5): -3.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 91 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 63.8±5.0 dyne/cm
Molar Volume: 181.9±5.0 cm3

Click to predict properties on the Chemicalize site


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