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Search term: KASBHQGOFBHUAJ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-(4-Isopropoxy-3-methoxyphenyl)-2-propanamine | C13H21NO2

1-(4-Isopropoxy-3-methoxyphenyl)-2-propanamine

  • Molecular FormulaC13H21NO2
  • Average mass223.311 Da
  • Monoisotopic mass223.157227 Da
  • ChemSpider ID38641669

More details:

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

1-(4-Isopropoxy-3-methoxyphenyl)-2-propanamin [German] [ACD/IUPAC Name]
1-(4-Isopropoxy-3-methoxyphenyl)-2-propanamine [ACD/IUPAC Name]
1-(4-Isopropoxy-3-méthoxyphényl)-2-propanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, 3-methoxy-α-methyl-4-(1-methylethoxy)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 316.1±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.7±3.0 kJ/mol
Flash Point: 158.4±31.0 °C
Index of Refraction: 1.505
Molar Refractivity: 66.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): -1.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.32
Polar Surface Area: 44 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 33.7±3.0 dyne/cm
Molar Volume: 224.2±3.0 cm3

Click to predict properties on the Chemicalize site


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