ChemSpider 2D Image | 1-Acetyl-4-{[1-(ethoxycarbonyl)-4-hydroxy-4-piperidinyl]methyl}-1,4-diazepane-6-carboxylic acid | C17H29N3O6

1-Acetyl-4-{[1-(ethoxycarbonyl)-4-hydroxy-4-piperidinyl]methyl}-1,4-diazepane-6-carboxylic acid

  • Molecular FormulaC17H29N3O6
  • Average mass371.429 Da
  • Monoisotopic mass371.205627 Da
  • ChemSpider ID114677424

More details:

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

1-Acetyl-4-{[1-(ethoxycarbonyl)-4-hydroxy-4-piperidinyl]methyl}-1,4-diazepan-6-carbonsäure [German] [ACD/IUPAC Name]
1-Acetyl-4-{[1-(ethoxycarbonyl)-4-hydroxy-4-piperidinyl]methyl}-1,4-diazepane-6-carboxylic acid [ACD/IUPAC Name]
1H-1,4-Diazepine-6-carboxylic acid, 1-acetyl-4-[[1-(ethoxycarbonyl)-4-hydroxy-4-piperidinyl]methyl]hexahydro- [ACD/Index Name]
Acide 1-acétyl-4-{[1-(éthoxycarbonyl)-4-hydroxy-4-pipéridinyl]méthyl}-1,4-diazépane-6-carboxylique [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: 583.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.1±6.0 kJ/mol
Flash Point: 306.4±30.1 °C
Index of Refraction: 1.545
Molar Refractivity: 91.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.38
ACD/LogD (pH 5.5): -2.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 111 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 56.1±3.0 dyne/cm
Molar Volume: 290.5±3.0 cm3

Click to predict properties on the Chemicalize site


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