ChemSpider 2D Image | N'-{1-[(6-Chloro-3-pyridinyl)methyl]-4-cyano-1H-1,2,3-triazol-5-yl}-N,N-bis(2-hydroxyethyl)imidoformamide | C14H16ClN7O2

N'-{1-[(6-Chloro-3-pyridinyl)methyl]-4-cyano-1H-1,2,3-triazol-5-yl}-N,N-bis(2-hydroxyethyl)imidoformamide

  • Molecular FormulaC14H16ClN7O2
  • Average mass349.776 Da
  • Monoisotopic mass349.105408 Da
  • ChemSpider ID30655125

  • Double-bond stereo - Double-bond stereo

More details:

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

Methanimidamide, N'-[1-[(6-chloro-3-pyridinyl)methyl]-4-cyano-1H-1,2,3-triazol-5-yl]-N,N-bis(2-hydroxyethyl)- [ACD/Index Name]
N'-{1-[(6-Chlor-3-pyridinyl)methyl]-4-cyan-1H-1,2,3-triazol-5-yl}-N,N-bis(2-hydroxyethyl)imidoformamid [German] [ACD/IUPAC Name]
N'-{1-[(6-Chloro-3-pyridinyl)methyl]-4-cyano-1H-1,2,3-triazol-5-yl}-N,N-bis(2-hydroxyethyl)imidoformamide [ACD/IUPAC Name]
N'-{1-[(6-Chloro-3-pyridinyl)méthyl]-4-cyano-1H-1,2,3-triazol-5-yl}-N,N-bis(2-hydroxyéthyl)imidoformamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 667.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 357.6±34.3 °C
Index of Refraction: 1.669
Molar Refractivity: 90.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: -0.95
ACD/LogD (pH 5.5): -0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.13
ACD/LogD (pH 7.4): -0.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.13
Polar Surface Area: 123 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 62.3±7.0 dyne/cm
Molar Volume: 242.1±7.0 cm3

Click to predict properties on the Chemicalize site


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