ChemSpider 2D Image | (1S)-2-(2,4,5-Trimethoxyphenyl)cyclobutanamine | C13H19NO3

(1S)-2-(2,4,5-Trimethoxyphenyl)cyclobutanamine

  • Molecular FormulaC13H19NO3
  • Average mass237.295 Da
  • Monoisotopic mass237.136490 Da
  • ChemSpider ID23112691
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






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

(1S)-2-(2,4,5-Trimethoxyphenyl)cyclobutanamin [German] [ACD/IUPAC Name]
(1S)-2-(2,4,5-Trimethoxyphenyl)cyclobutanamine [ACD/IUPAC Name]
(1S)-2-(2,4,5-Triméthoxyphényl)cyclobutanamine [French] [ACD/IUPAC Name]
Cyclobutanamine, 2-(2,4,5-trimethoxyphenyl)-, (1S)- [ACD/Index Name]
(1S)-2-(2,4,5-trimethoxyphenyl)cyclobutan-1-amine
2-(2,4,5-Trimethoxy-phenyl)-cyclobutylamine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 346.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.0±3.0 kJ/mol
Flash Point: 167.6±21.6 °C
Index of Refraction: 1.531
Molar Refractivity: 66.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.40
ACD/LogD (pH 5.5): -1.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 54 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 214.7±3.0 cm3

Click to predict properties on the Chemicalize site






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