ChemSpider 2D Image | 25CN-NBOH | C18H20N2O3

25CN-NBOH

  • Molecular FormulaC18H20N2O3
  • Average mass312.363 Da
  • Monoisotopic mass312.147400 Da
  • ChemSpider ID58191431

More details:

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

1391489-32-9 [RN]
25CN-NBOH [Wiki]
4-[2-[[(2-Hydroxyphenyl)methyl]amino]ethyl]-2,5-dimethoxybenzonitrile
4-{2-[(2-Hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitril [German] [ACD/IUPAC Name]
4-{2-[(2-Hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile [ACD/IUPAC Name]
4-{2-[(2-Hydroxybenzyl)amino]éthyl}-2,5-diméthoxybenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[2-[[(2-hydroxyphenyl)methyl]amino]ethyl]-2,5-dimethoxy- [ACD/Index Name]
2-([2-(4-cyano-2,5-dimethoxyphenyl)ethylamino]methyl)phenol
4-[2-[(2-hydroxyphenyl)methylamino]ethyl]-2,5-dimethoxybenzonitrile
N-(2-hydroxybenzyl)-2,5-dimethoxy-4-cyanophenethylamine
More...
  • Miscellaneous

    • Chemical Class:

      A secondary amino compound that is 4-(2-aminoethyl)-2,5-dimethoxybenzonitrile in which one of the hydrogens of the amino group has been replaced by a 2-hydroxybenzyl group. A 5-hydroxytryptamine 2A re ceptor agonist. ChEBI CHEBI:145979

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

Density: 1.2±0.1 g/cm3
Boiling Point: 508.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.8±3.0 kJ/mol
Flash Point: 261.3±30.1 °C
Index of Refraction: 1.597
Molar Refractivity: 87.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.75
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 7.91
ACD/KOC (pH 7.4): 77.23
Polar Surface Area: 75 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 257.8±5.0 cm3

Click to predict properties on the Chemicalize site


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