ChemSpider 2D Image | 4-[(1S)-1,2-Diaminoethyl]-1,2-benzenediol | C8H12N2O2

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

  • Molecular FormulaC8H12N2O2
  • Average mass168.193 Da
  • Monoisotopic mass168.089874 Da
  • ChemSpider ID27446933
  • 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)-1,2-diaminoethyl]- [ACD/Index Name]
4-[(1S)-1,2-Diaminoethyl]-1,2-benzenediol [ACD/IUPAC Name]
4-[(1S)-1,2-Diaminoéthyl]-1,2-benzènediol [French] [ACD/IUPAC Name]
4-[(1S)-1,2-Diaminoethyl]-1,2-benzoldiol [German] [ACD/IUPAC Name]
4-((1S)-1,2-DIAMINOETHYL)BENZENE-1,2-DIOL

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 407.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.5±3.0 kJ/mol
Flash Point: 200.0±27.3 °C
Index of Refraction: 1.654
Molar Refractivity: 46.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -1.61
ACD/LogD (pH 5.5): -4.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 72.0±3.0 dyne/cm
Molar Volume: 127.2±3.0 cm3

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