ChemSpider 2D Image | 2-(3-Heptanylamino)-1,3-propanediol | C10H23NO2

2-(3-Heptanylamino)-1,3-propanediol

  • Molecular FormulaC10H23NO2
  • Average mass189.295 Da
  • Monoisotopic mass189.172882 Da
  • ChemSpider ID32038820

More details:

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

1,3-Propanediol, 2-[(1-ethylpentyl)amino]- [ACD/Index Name]
2-(3-Heptanylamino)-1,3-propandiol [German] [ACD/IUPAC Name]
2-(3-Heptanylamino)-1,3-propanediol [ACD/IUPAC Name]
2-(3-Heptanylamino)-1,3-propanediol [French] [ACD/IUPAC Name]
1487445-45-3 [RN]
2-[(heptan-3-yl)amino]propane-1,3-diol
MFCD21187318

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

Density: 1.0±0.1 g/cm3
Boiling Point: 317.2±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 64.8±6.0 kJ/mol
Flash Point: 104.1±12.9 °C
Index of Refraction: 1.467
Molar Refractivity: 55.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.94
ACD/LogD (pH 5.5): -1.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.28
Polar Surface Area: 52 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 36.2±3.0 dyne/cm
Molar Volume: 198.2±3.0 cm3

Click to predict properties on the Chemicalize site


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