ChemSpider 2D Image | N-[(6-Chloro-3-pyridinyl)methyl]-N'-cyano-N-methylethanimidamide | C10H11ClN4


  • Molecular FormulaC10H11ClN4
  • Average mass222.674 Da
  • Monoisotopic mass222.067230 Da
  • ChemSpider ID21130168

More details:

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

160430-64-8 [RN]
Ethanimidamide, N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methyl- [ACD/Index Name]
N-[(6-Chlor-3-pyridinyl)methyl]-N'-cyan-N-methylethanimidamid [German] [ACD/IUPAC Name]
N-[(6-Chloro-3-pyridinyl)methyl]-N'-cyano-N-methylethanimidamide [ACD/IUPAC Name]
N-[(6-Chloro-3-pyridinyl)méthyl]-N'-cyano-N-méthyléthanimidamide [French] [ACD/IUPAC Name]
N-[(6-Chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide [ACD/IUPAC Name]
Ethanimidamide, N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methyl-, (1E)- [ACD/Index Name]
  • Miscellaneous
    • Chemical Class:

      A carboxamidine that is acetamidine in which the amino hydrogens are substituted by a (6-chloropyridin-3-yl)methyl and a methyl group while the hydrogen attached to the imino nitrogen is replaced by a cyano group. ChEBI CHEBI:39163

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

Density: 1.2±0.1 g/cm3
Boiling Point: 352.4±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.7±3.0 kJ/mol
Flash Point: 166.9±30.7 °C
Index of Refraction: 1.571
Molar Refractivity: 62.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.62
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 3.74
ACD/KOC (pH 5.5): 89.51
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 3.74
ACD/KOC (pH 7.4): 89.51
Polar Surface Area: 52 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 41.1±7.0 dyne/cm
Molar Volume: 189.7±7.0 cm3

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