ChemSpider 2D Image | tert-Butyl 7,8-dimethoxy-1,2,3,5-tetrahydro-4H-1,4-benzodiazepine-4-carboxylate | C16H24N2O4

tert-Butyl 7,8-dimethoxy-1,2,3,5-tetrahydro-4H-1,4-benzodiazepine-4-carboxylate

  • Molecular FormulaC16H24N2O4
  • Average mass308.373 Da
  • Monoisotopic mass308.173615 Da
  • ChemSpider ID21373573

More details:






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

2-Methyl-2-propanyl 7,8-dimethoxy-1,2,3,5-tetrahydro-4H-1,4-benzodiazepine-4-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-7,8-dimethoxy-1,2,3,5-tetrahydro-4H-1,4-benzodiazepin-4-carboxylat [German] [ACD/IUPAC Name]
4H-1,4-Benzodiazepine-4-carboxylic acid, 1,2,3,5-tetrahydro-7,8-dimethoxy-, 1,1-dimethylethyl ester [ACD/Index Name]
7,8-Diméthoxy-1,2,3,5-tétrahydro-4H-1,4-benzodiazépine-4-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 7,8-dimethoxy-1,2,3,5-tetrahydro-4H-1,4-benzodiazepine-4-carboxylate
[1,4]diazepine
[886364-26-7]
4-boc-7,8-dimethoxy-2,3,4,5-tetrahydro-1h-benzo(e)(1,4)diazepine
4-Boc-7,8-Dimethoxy-2,3,4,5-tetrahydro-1H-benzo[e]
4-Boc-7,8-Dimethoxy-2,3,4,5-tetrahydro-1H-benzo[e] [1,4]diazepine
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 437.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.4±3.0 kJ/mol
Flash Point: 218.5±28.7 °C
Index of Refraction: 1.516
Molar Refractivity: 83.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.45
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 14.00
ACD/KOC (pH 5.5): 210.06
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 19.21
ACD/KOC (pH 7.4): 288.28
Polar Surface Area: 60 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 276.3±3.0 cm3

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