ChemSpider 2D Image | 6-({[2-(1H-1,2,3-Triazol-4-ylsulfanyl)ethyl]amino}methyl)-1,4-oxazepan-6-ol | C10H19N5O2S

6-({[2-(1H-1,2,3-Triazol-4-ylsulfanyl)ethyl]amino}methyl)-1,4-oxazepan-6-ol

  • Molecular FormulaC10H19N5O2S
  • Average mass273.355 Da
  • Monoisotopic mass273.125946 Da
  • ChemSpider ID29702687

More details:

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

1,4-Oxazepin-6-ol, hexahydro-6-[[[2-(1H-1,2,3-triazol-5-ylthio)ethyl]amino]methyl]- [ACD/Index Name]
6-({[2-(1H-1,2,3-Triazol-4-ylsulfanyl)ethyl]amino}methyl)-1,4-oxazepan-6-ol [ACD/IUPAC Name]
6-({[2-(1H-1,2,3-Triazol-4-ylsulfanyl)ethyl]amino}methyl)-1,4-oxazepan-6-ol [German] [ACD/IUPAC Name]
6-({[2-(1H-1,2,3-Triazol-4-ylsulfanyl)éthyl]amino}méthyl)-1,4-oxazépan-6-ol [French] [ACD/IUPAC Name]
6-({[2-(1H-1,2,3-triazol-5-ylthio)ethyl]amino}methyl)-1,4-oxazepan-6-ol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 539.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.0±3.0 kJ/mol
Flash Point: 280.2±30.1 °C
Index of Refraction: 1.610
Molar Refractivity: 69.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.10
ACD/LogD (pH 5.5): -4.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 73.1±5.0 dyne/cm
Molar Volume: 201.6±5.0 cm3

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