ChemSpider 2D Image | 1-(4-Hydroxy-3-methoxyphenyl)-2-(methylamino)-1-butanone | C12H17NO3

1-(4-Hydroxy-3-methoxyphenyl)-2-(methylamino)-1-butanone

  • Molecular FormulaC12H17NO3
  • Average mass223.268 Da
  • Monoisotopic mass223.120850 Da
  • ChemSpider ID67170583

More details:

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

1-(4-Hydroxy-3-methoxyphenyl)-2-(methylamino)-1-butanon [German] [ACD/IUPAC Name]
1-(4-Hydroxy-3-methoxyphenyl)-2-(methylamino)-1-butanone [ACD/IUPAC Name]
1-(4-Hydroxy-3-méthoxyphényl)-2-(méthylamino)-1-butanone [French] [ACD/IUPAC Name]
1-Butanone, 1-(4-hydroxy-3-methoxyphenyl)-2-(methylamino)- [ACD/Index Name]
2-methylamino-1-(4-hydroxy-3-methoxyphenyl)butan-1-one

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

Density: 1.1±0.1 g/cm3
Boiling Point: 375.8±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.8±3.0 kJ/mol
Flash Point: 181.1±25.1 °C
Index of Refraction: 1.529
Molar Refractivity: 62.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.65
ACD/LogD (pH 5.5): -0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.18
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 2.01
ACD/KOC (pH 7.4): 39.34
Polar Surface Area: 59 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 202.1±3.0 cm3

Click to predict properties on the Chemicalize site


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