ChemSpider 2D Image | (2Z)-N-(3-Nitrophenyl)-4-[3-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-2(5H)-pyrimidinimine | C19H15N7O2

(2Z)-N-(3-Nitrophenyl)-4-[3-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-2(5H)-pyrimidinimine

  • Molecular FormulaC19H15N7O2
  • Average mass373.368 Da
  • Monoisotopic mass373.128723 Da
  • ChemSpider ID22377720
  • Double-bond stereo - Double-bond stereo


More details:






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

(2Z)-N-(3-Nitrophenyl)-4-[3-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-2(5H)-pyrimidinimin [German] [ACD/IUPAC Name]
(2Z)-N-(3-Nitrophenyl)-4-[3-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-2(5H)-pyrimidinimine [ACD/IUPAC Name]
(2Z)-N-(3-Nitrophényl)-4-[3-(1H-1,2,4-triazol-1-ylméthyl)phényl]-2(5H)-pyrimidinimine [French] [ACD/IUPAC Name]
Benzenamine, 3-nitro-N-[(2Z)-4-[3-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-2(5H)-pyrimidinylidene]- [ACD/Index Name]
HYDROXY(OXO)(3-{[(2Z)-4-[3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]PYRIMIDIN-2(5H)-YLIDENE]AMINO}PHENYL)AMMONIUM

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

Density: 1.4±0.1 g/cm3
Boiling Point: 629.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.1±3.0 kJ/mol
Flash Point: 334.3±34.3 °C
Index of Refraction: 1.725
Molar Refractivity: 104.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.55
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 35.19
ACD/KOC (pH 5.5): 443.13
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 35.78
ACD/KOC (pH 7.4): 450.48
Polar Surface Area: 114 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 64.2±7.0 dyne/cm
Molar Volume: 264.0±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement