ChemSpider 2D Image | 1-[3-({[2-(1-Azepanyl)ethyl](methyl)amino}methyl)phenyl]-N,N-dimethylethanamine | C20H35N3

1-[3-({[2-(1-Azepanyl)ethyl](methyl)amino}methyl)phenyl]-N,N-dimethylethanamine

  • Molecular FormulaC20H35N3
  • Average mass317.512 Da
  • Monoisotopic mass317.283112 Da
  • ChemSpider ID62725275

More details:

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

1,3-Benzenedimethanamine, N3-[2-(hexahydro-1H-azepin-1-yl)ethyl]-N1,N1,N3,α1-tetramethyl- [ACD/Index Name]
1-[3-({[2-(1-Azepanyl)ethyl](methyl)amino}methyl)phenyl]-N,N-dimethylethanamin [German] [ACD/IUPAC Name]
1-[3-({[2-(1-Azepanyl)ethyl](methyl)amino}methyl)phenyl]-N,N-dimethylethanamine [ACD/IUPAC Name]
1-[3-({[2-(1-Azépanyl)éthyl](méthyl)amino}méthyl)phényl]-N,N-diméthyléthanamine [French] [ACD/IUPAC Name]
(2-azepan-1-ylethyl){3-[1-(dimethylamino)ethyl]benzyl}methylamine

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

Density: 1.0±0.1 g/cm3
Boiling Point: 394.2±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.4±3.0 kJ/mol
Flash Point: 175.0±15.7 °C
Index of Refraction: 1.526
Molar Refractivity: 100.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.80
ACD/LogD (pH 5.5): -1.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.46
Polar Surface Area: 10 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 37.4±3.0 dyne/cm
Molar Volume: 327.6±3.0 cm3

Click to predict properties on the Chemicalize site


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