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Search term: ZVTVIPHSXNUZQH (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-[(2S)-2-Aminobutyl]-1,2-benzenediol | C10H15NO2

4-[(2S)-2-Aminobutyl]-1,2-benzenediol

  • Molecular FormulaC10H15NO2
  • Average mass181.232 Da
  • Monoisotopic mass181.110275 Da
  • ChemSpider ID97479570

  • 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-aminobutyl]- [ACD/Index Name]
4-[(2S)-2-Aminobutyl]-1,2-benzenediol [ACD/IUPAC Name]
4-[(2S)-2-Aminobutyl]-1,2-benzènediol [French] [ACD/IUPAC Name]
4-[(2S)-2-Aminobutyl]-1,2-benzoldiol [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 348.5±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.6±3.0 kJ/mol
Flash Point: 164.6±23.7 °C
Index of Refraction: 1.585
Molar Refractivity: 52.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.00
ACD/LogD (pH 5.5): -2.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 52.2±3.0 dyne/cm
Molar Volume: 156.2±3.0 cm3

Click to predict properties on the Chemicalize site


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