ChemSpider 2D Image | 25I-NB34MD | C18H20INO4

25I-NB34MD

  • Molecular FormulaC18H20INO4
  • Average mass441.260 Da
  • Monoisotopic mass441.043701 Da
  • ChemSpider ID58191429

More details:

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

1,3-Benzodioxole-5-methanamine, N-[2-(4-iodo-2,5-dimethoxyphenyl)ethyl]- [ACD/Index Name]
1391497-81-6 [RN]
25I-NB34MD [Wiki]
N-(1,3-Benzodioxol-5-ylmethyl)-2-(4-iod-2,5-dimethoxyphenyl)ethanamin [German] [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylmethyl)-2-(4-iodo-2,5-dimethoxyphenyl)ethanamine [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylméthyl)-2-(4-iodo-2,5-diméthoxyphényl)éthanamine [French] [ACD/IUPAC Name]
NB34MD-2C-I [Wiki]
2-(4-iodo-2,5-dimethoxyphenyl)-N-[(3,4-methylenedioxyphenyl)methyl]ethanamine
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-jod-2,5-dimethoxyphenyl)ethanamine [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 508.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 261.0±30.1 °C
Index of Refraction: 1.614
Molar Refractivity: 100.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.40
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 23.14
ACD/KOC (pH 7.4): 129.81
Polar Surface Area: 49 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 289.5±3.0 cm3

Click to predict properties on the Chemicalize site


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