ChemSpider 2D Image | 4-[(2S)-2-(Methylamino)propyl]-1,2-benzenediol | C10H15NO2

4-[(2S)-2-(Methylamino)propyl]-1,2-benzenediol

  • Molecular FormulaC10H15NO2
  • Average mass181.232 Da
  • Monoisotopic mass181.110275 Da
  • ChemSpider ID75154502

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,2-Benzenediol, 4-[(2S)-2-(methylamino)propyl]- [ACD/Index Name]
4-[(2S)-2-(Methylamino)propyl]-1,2-benzenediol [ACD/IUPAC Name]
4-[(2S)-2-(Méthylamino)propyl]-1,2-benzènediol [French] [ACD/IUPAC Name]
4-[(2S)-2-(Methylamino)propyl]-1,2-benzoldiol [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 332.6±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.8±3.0 kJ/mol
Flash Point: 141.7±14.3 °C
Index of Refraction: 1.563
Molar Refractivity: 52.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.61
ACD/LogD (pH 5.5): -2.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 52 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 161.3±3.0 cm3

Click to predict properties on the Chemicalize site


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