ChemSpider 2D Image | tert-Butyl 7-acetyl-2,3,4,5-tetrahydro-1H-3-benzazepine-3-carboxylate | C17H23NO3

tert-Butyl 7-acetyl-2,3,4,5-tetrahydro-1H-3-benzazepine-3-carboxylate

  • Molecular FormulaC17H23NO3
  • Average mass289.369 Da
  • Monoisotopic mass289.167786 Da
  • ChemSpider ID13227326

More details:

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

264264-31-5 [RN]
2-Methyl-2-propanyl 7-acetyl-1,2,4,5-tetrahydro-3H-3-benzazepine-3-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-7-acetyl-1,2,4,5-tetrahydro-3H-3-benzazepin-3-carboxylat [German] [ACD/IUPAC Name]
3H-3-Benzazepine-3-carboxylic acid, 7-acetyl-1,2,4,5-tetrahydro-, 1,1-dimethylethyl ester [ACD/Index Name]
7-Acétyl-1,2,4,5-tétrahydro-3H-3-benzazépine-3-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 7-acetyl-2,3,4,5-tetrahydro-1H-3-benzazepine-3-carboxylate
7-Acetyl-3-(tert-butyloxycarbonyl)-2,3,4,5-tetrahydro-1H-3-benzazepine
CS-4341
MFCD12408164 [MDL number]
tert-butyl 7-acetyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 429.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.5±3.0 kJ/mol
Flash Point: 213.7±28.7 °C
Index of Refraction: 1.530
Molar Refractivity: 81.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 274.71
ACD/KOC (pH 5.5): 1938.01
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 274.71
ACD/KOC (pH 7.4): 1938.01
Polar Surface Area: 47 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 263.8±3.0 cm3

Click to predict properties on the Chemicalize site


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