ChemSpider 2D Image | 9-(3,5-Dichloro-2-hydroxybenzyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one | C16H21Cl2N3O2

9-(3,5-Dichloro-2-hydroxybenzyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one

  • Molecular FormulaC16H21Cl2N3O2
  • Average mass358.263 Da
  • Monoisotopic mass357.101074 Da
  • ChemSpider ID29667401

More details:

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

1,4,9-Triazaspiro[5.5]undecan-5-one, 9-[(3,5-dichloro-2-hydroxyphenyl)methyl]-1-methyl- [ACD/Index Name]
9-(3,5-Dichlor-2-hydroxybenzyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-on [German] [ACD/IUPAC Name]
9-(3,5-Dichloro-2-hydroxybenzyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one [ACD/IUPAC Name]
9-(3,5-Dichloro-2-hydroxybenzyl)-1-méthyl-1,4,9-triazaspiro[5.5]undécan-5-one [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 522.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 270.0±30.1 °C
Index of Refraction: 1.644
Molar Refractivity: 91.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.62
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.06
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 6.68
ACD/KOC (pH 7.4): 77.94
Polar Surface Area: 56 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 64.2±5.0 dyne/cm
Molar Volume: 253.4±5.0 cm3

Click to predict properties on the Chemicalize site


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