Found 1 result

Search term: RUSUFOFGWALPJC-UMJHXOGRSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (1S)-2-(2,5-Dimethoxy-4-methylphenyl)cyclobutanamine | C13H19NO2

(1S)-2-(2,5-Dimethoxy-4-methylphenyl)cyclobutanamine

  • Molecular FormulaC13H19NO2
  • Average mass221.296 Da
  • Monoisotopic mass221.141586 Da
  • ChemSpider ID23112595

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(1S)-2-(2,5-Dimethoxy-4-methylphenyl)cyclobutanamin [German] [ACD/IUPAC Name]
(1S)-2-(2,5-Dimethoxy-4-methylphenyl)cyclobutanamine [ACD/IUPAC Name]
(1S)-2-(2,5-Diméthoxy-4-méthylphényl)cyclobutanamine [French] [ACD/IUPAC Name]
Cyclobutanamine, 2-(2,5-dimethoxy-4-methylphenyl)-, (1S)- [ACD/Index Name]
2-(2,5-Dimethoxy-4-methyl-phenyl)-cyclobutylamine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL267311/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 332.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.5±3.0 kJ/mol
Flash Point: 169.7±35.2 °C
Index of Refraction: 1.537
Molar Refractivity: 64.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.16
ACD/LogD (pH 5.5): -0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 44 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 207.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement