ChemSpider 2D Image | (1-Methyl-4-piperidinyl)methyl 8-amino-7-chloro-2,3-dihydro-1,4-benzodioxine-5-carboxylate | C16H21ClN2O4

(1-Methyl-4-piperidinyl)methyl 8-amino-7-chloro-2,3-dihydro-1,4-benzodioxine-5-carboxylate

  • Molecular FormulaC16H21ClN2O4
  • Average mass340.802 Da
  • Monoisotopic mass340.118988 Da
  • ChemSpider ID31135706

More details:

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

(1-Methyl-4-piperidinyl)methyl 8-amino-7-chloro-2,3-dihydro-1,4-benzodioxine-5-carboxylate [ACD/IUPAC Name]
(1-Methyl-4-piperidinyl)methyl-8-amino-7-chlor-2,3-dihydro-1,4-benzodioxin-5-carboxylat [German] [ACD/IUPAC Name]
1,4-Benzodioxin-5-carboxylic acid, 8-amino-7-chloro-2,3-dihydro-, (1-methyl-4-piperidinyl)methyl ester [ACD/Index Name]
8-Amino-7-chloro-2,3-dihydro-1,4-benzodioxine-5-carboxylate de (1-méthyl-4-pipéridinyl)méthyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 500.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 256.4±30.1 °C
Index of Refraction: 1.575
Molar Refractivity: 87.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.46
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 4.67
ACD/KOC (pH 7.4): 39.81
Polar Surface Area: 74 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 264.0±3.0 cm3

Click to predict properties on the Chemicalize site


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