ChemSpider 2D Image | N-(4-Butoxybenzyl)-1-[4-(methylsulfanyl)phenyl]-2-propanamine | C21H29NOS

N-(4-Butoxybenzyl)-1-[4-(methylsulfanyl)phenyl]-2-propanamine

  • Molecular FormulaC21H29NOS
  • Average mass343.526 Da
  • Monoisotopic mass343.196991 Da
  • ChemSpider ID24689570

More details:

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

Benzeneethanamine, N-[(4-butoxyphenyl)methyl]-α-methyl-4-(methylthio)- [ACD/Index Name]
N-(4-Butoxybenzyl)-1-[4-(methylsulfanyl)phenyl]-2-propanamin [German] [ACD/IUPAC Name]
N-(4-Butoxybenzyl)-1-[4-(methylsulfanyl)phenyl]-2-propanamine [ACD/IUPAC Name]
N-(4-Butoxybenzyl)-1-[4-(méthylsulfanyl)phényl]-2-propanamine [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL457038/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 474.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.8±3.0 kJ/mol
Flash Point: 241.0±25.9 °C
Index of Refraction: 1.570
Molar Refractivity: 106.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.92
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 13.15
ACD/KOC (pH 5.5): 30.03
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 137.60
ACD/KOC (pH 7.4): 314.17
Polar Surface Area: 47 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 43.4±5.0 dyne/cm
Molar Volume: 324.7±5.0 cm3

Click to predict properties on the Chemicalize site


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