ChemSpider 2D Image | 3-(3-Isopropoxy-4-nitro-1H-pyrazol-1-yl)-1-propanamine | C9H16N4O3

3-(3-Isopropoxy-4-nitro-1H-pyrazol-1-yl)-1-propanamine

  • Molecular FormulaC9H16N4O3
  • Average mass228.248 Da
  • Monoisotopic mass228.122238 Da
  • ChemSpider ID53607905

More details:

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

1H-Pyrazole-1-propanamine, 3-(1-methylethoxy)-4-nitro- [ACD/Index Name]
3-(3-Isopropoxy-4-nitro-1H-pyrazol-1-yl)-1-propanamin [German] [ACD/IUPAC Name]
3-(3-Isopropoxy-4-nitro-1H-pyrazol-1-yl)-1-propanamine [ACD/IUPAC Name]
3-(3-Isopropoxy-4-nitro-1H-pyrazol-1-yl)-1-propanamine [French] [ACD/IUPAC Name]
1856064-05-5 [RN]
3-(3-isopropoxy-4-nitro-1H-pyrazol-1-yl)propan-1-amine
3-(3-ISOPROPOXY-4-NITROPYRAZOL-1-YL)PROPAN-1-AMINE
3-[4-NITRO-3-(PROPAN-2-YLOXY)-1H-PYRAZOL-1-YL]PROPAN-1-AMINE
MFCD29911744

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

Density: 1.3±0.1 g/cm3
Boiling Point: 386.5±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.5±3.0 kJ/mol
Flash Point: 187.6±25.1 °C
Index of Refraction: 1.580
Molar Refractivity: 57.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.04
ACD/LogD (pH 5.5): -2.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 99 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 50.8±7.0 dyne/cm
Molar Volume: 171.4±7.0 cm3

Click to predict properties on the Chemicalize site


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