ChemSpider 2D Image | 4-[(1S)-2-(Dimethylamino)-1-hydroxyethyl]-1,2-benzenediol | C10H15NO3

4-[(1S)-2-(Dimethylamino)-1-hydroxyethyl]-1,2-benzenediol

  • Molecular FormulaC10H15NO3
  • Average mass197.231 Da
  • Monoisotopic mass197.105194 Da
  • ChemSpider ID34994083

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,2-Benzenediol, 4-[(1S)-2-(dimethylamino)-1-hydroxyethyl]- [ACD/Index Name]
4-[(1S)-2-(Dimethylamino)-1-hydroxyethyl]-1,2-benzenediol [ACD/IUPAC Name]
4-[(1S)-2-(Diméthylamino)-1-hydroxyéthyl]-1,2-benzènediol [French] [ACD/IUPAC Name]
4-[(1S)-2-(Dimethylamino)-1-hydroxyethyl]-1,2-benzoldiol [German] [ACD/IUPAC Name]
209-078-2 [EINECS]
554-99-4 [RN]
N-Methylepinephrine
UNII-T12BO931W4

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

Density: 1.3±0.1 g/cm3
Boiling Point: 393.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 227.0±26.5 °C
Index of Refraction: 1.602
Molar Refractivity: 54.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.05
ACD/LogD (pH 5.5): -3.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.46
Polar Surface Area: 64 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 57.8±3.0 dyne/cm
Molar Volume: 157.6±3.0 cm3

Click to predict properties on the Chemicalize site


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