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Search term: ZTKZBDXLKKRNDE (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-(1,3-Benzodioxol-4-ylmethyl)-2-(3,4-dimethoxyphenyl)ethanamine | C18H21NO4

N-(1,3-Benzodioxol-4-ylmethyl)-2-(3,4-dimethoxyphenyl)ethanamine

  • Molecular FormulaC18H21NO4
  • Average mass315.364 Da
  • Monoisotopic mass315.147064 Da
  • ChemSpider ID57603459

More details:

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

1,3-Benzodioxole-4-methanamine, N-[2-(3,4-dimethoxyphenyl)ethyl]- [ACD/Index Name]
N-(1,3-Benzodioxol-4-ylmethyl)-2-(3,4-dimethoxyphenyl)ethanamin [German] [ACD/IUPAC Name]
N-(1,3-Benzodioxol-4-ylmethyl)-2-(3,4-dimethoxyphenyl)ethanamine [ACD/IUPAC Name]
N-(1,3-Benzodioxol-4-ylméthyl)-2-(3,4-diméthoxyphényl)éthanamine [French] [ACD/IUPAC Name]
[(2H-1,3-benzodioxol-4-yl)methyl][2-(3,4-dimethoxyphenyl)ethyl]amine
1095272-10-8 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 451.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.0±3.0 kJ/mol
Flash Point: 189.1±18.2 °C
Index of Refraction: 1.572
Molar Refractivity: 88.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.17
ACD/LogD (pH 5.5): -0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 2.26
ACD/KOC (pH 7.4): 24.04
Polar Surface Area: 49 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 267.5±3.0 cm3

Click to predict properties on the Chemicalize site


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