Found 1461 results

Search term: MF = 'C_{15}H_{31}NO_{3}'
ChemSpider 2D Image | 2-(3-Methylbutoxy)ethyl (3S)-3-(aminomethyl)-5-methylhexanoate | C15H31NO3

2-(3-Methylbutoxy)ethyl (3S)-3-(aminomethyl)-5-methylhexanoate

  • Molecular FormulaC15H31NO3
  • Average mass273.411 Da
  • Monoisotopic mass273.230408 Da
  • ChemSpider ID65053141

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-(Aminométhyl)-5-méthylhexanoate de 2-(3-méthylbutoxy)éthyle [French] [ACD/IUPAC Name]
2-(3-Methylbutoxy)ethyl (3S)-3-(aminomethyl)-5-methylhexanoate [ACD/IUPAC Name]
2-(3-Methylbutoxy)ethyl-(3S)-3-(aminomethyl)-5-methylhexanoat [German] [ACD/IUPAC Name]
Hexanoic acid, 3-(aminomethyl)-5-methyl-, 2-(3-methylbutoxy)ethyl ester, (3S)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 356.3±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.2±3.0 kJ/mol
Flash Point: 93.1±18.7 °C
Index of Refraction: 1.452
Molar Refractivity: 78.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): -0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.56
Polar Surface Area: 62 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 32.5±3.0 dyne/cm
Molar Volume: 290.8±3.0 cm3

Click to predict properties on the Chemicalize site


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