ChemSpider 2D Image | 5-Amino-1-(4-methyl-1,4-oxazepan-6-yl)-1H-1,2,3-triazole-4-carboxamide | C9H16N6O2

5-Amino-1-(4-methyl-1,4-oxazepan-6-yl)-1H-1,2,3-triazole-4-carboxamide

  • Molecular FormulaC9H16N6O2
  • Average mass240.262 Da
  • Monoisotopic mass240.133469 Da
  • ChemSpider ID28944031

More details:

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

1H-1,2,3-Triazole-4-carboxamide, 5-amino-1-(hexahydro-4-methyl-1,4-oxazepin-6-yl)- [ACD/Index Name]
5-Amino-1-(4-methyl-1,4-oxazepan-6-yl)-1H-1,2,3-triazol-4-carboxamid [German] [ACD/IUPAC Name]
5-Amino-1-(4-methyl-1,4-oxazepan-6-yl)-1H-1,2,3-triazole-4-carboxamide [ACD/IUPAC Name]
5-Amino-1-(4-méthyl-1,4-oxazépan-6-yl)-1H-1,2,3-triazole-4-carboxamide [French] [ACD/IUPAC Name]
1353504-76-3 [RN]
MFCD21090841

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

Density: 1.6±0.1 g/cm3
Boiling Point: 483.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.8±3.0 kJ/mol
Flash Point: 246.0±31.5 °C
Index of Refraction: 1.726
Molar Refractivity: 58.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.57
ACD/LogD (pH 5.5): -3.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.65
Polar Surface Area: 112 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 72.4±7.0 dyne/cm
Molar Volume: 148.0±7.0 cm3

Click to predict properties on the Chemicalize site


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