ChemSpider 2D Image | 2-Isopropoxyethyl 3-(aminomethyl)-5-methylhexanoate | C13H27NO3

2-Isopropoxyethyl 3-(aminomethyl)-5-methylhexanoate

  • Molecular FormulaC13H27NO3
  • Average mass245.358 Da
  • Monoisotopic mass245.199097 Da
  • ChemSpider ID48835166

More details:

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

2-Isopropoxyethyl 3-(aminomethyl)-5-methylhexanoate [ACD/IUPAC Name]
2-Isopropoxyethyl-3-(aminomethyl)-5-methylhexanoat [German] [ACD/IUPAC Name]
3-(Aminométhyl)-5-méthylhexanoate de 2-isopropoxyéthyle [French] [ACD/IUPAC Name]
Hexanoic acid, 3-(aminomethyl)-5-methyl-, 2-(1-methylethoxy)ethyl ester [ACD/Index Name]
1493750-51-8 [RN]
2-(propan-2-yloxy)ethyl 3-(aminomethyl)-5-methylhexanoate
MFCD20816381

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

Density: 1.0±0.1 g/cm3
Boiling Point: 324.5±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.7±3.0 kJ/mol
Flash Point: 91.7±18.7 °C
Index of Refraction: 1.449
Molar Refractivity: 69.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.20
ACD/LogD (pH 5.5): -0.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.41
Polar Surface Area: 62 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 32.4±3.0 dyne/cm
Molar Volume: 257.8±3.0 cm3

Click to predict properties on the Chemicalize site


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