ChemSpider 2D Image | 4-{2-[(5-Amino-2-pentanyl)amino]-1-hydroxyethyl}-1,2-benzenediol | C13H22N2O3

4-{2-[(5-Amino-2-pentanyl)amino]-1-hydroxyethyl}-1,2-benzenediol

  • Molecular FormulaC13H22N2O3
  • Average mass254.325 Da
  • Monoisotopic mass254.163040 Da
  • ChemSpider ID23229104

More details:

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

1,2-Benzenediol, 4-[2-[(4-amino-1-methylbutyl)amino]-1-hydroxyethyl]- [ACD/Index Name]
4-{2-[(5-Amino-2-pentanyl)amino]-1-hydroxyethyl}-1,2-benzenediol [ACD/IUPAC Name]
4-{2-[(5-Amino-2-pentanyl)amino]-1-hydroxyéthyl}-1,2-benzènediol [French] [ACD/IUPAC Name]
4-{2-[(5-Amino-2-pentanyl)amino]-1-hydroxyethyl}-1,2-benzoldiol [German] [ACD/IUPAC Name]
4-{2-[(5-aminopentan-2-yl)amino]-1-hydroxyethyl}benzene-1,2-diol
4-[2-(4-Amino-1-methyl-butylamino)-1-hydroxy-ethyl]-benzene-1,2-diol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 480.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.5±3.0 kJ/mol
Flash Point: 244.6±28.7 °C
Index of Refraction: 1.585
Molar Refractivity: 71.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.34
ACD/LogD (pH 5.5): -4.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 99 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 56.2±3.0 dyne/cm
Molar Volume: 212.8±3.0 cm3

Click to predict properties on the Chemicalize site


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