ChemSpider 2D Image | 4-Boc-7-Hydroxy-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine | C14H20N2O3

4-Boc-7-Hydroxy-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine

  • Molecular FormulaC14H20N2O3
  • Average mass264.320 Da
  • Monoisotopic mass264.147400 Da
  • ChemSpider ID21373579

More details:






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

1,1-Dimethylethyl 1,2,3,5-tetrahydro-7-hydroxy-4H-1,4-benzodiazepine-4-carboxylate
2-Methyl-2-propanyl 7-hydroxy-1,2,3,5-tetrahydro-4H-1,4-benzodiazepine-4-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-7-hydroxy-1,2,3,5-tetrahydro-4H-1,4-benzodiazepin-4-carboxylat [German] [ACD/IUPAC Name]
4-Boc-7-Hydroxy-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine
4H-1,4-Benzodiazepine-4-carboxylic acid, 1,2,3,5-tetrahydro-7-hydroxy-, 1,1-dimethylethyl ester [ACD/Index Name]
7-Hydroxy-1,2,3,5-tétrahydro-4H-1,4-benzodiazépine-4-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
886364-39-2 [RN]
MFCD07369870 [MDL number]
tert-Butyl 7-hydroxy-1,2,3,5-tetrahydro-4H-1,4-benzodiazepine-4-carboxylate
tert-Butyl 7-hydroxy-2,3-dihydro-1H-benzo[e][1,4]diazepine-4(5H)-carboxylate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 439.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 219.7±28.7 °C
Index of Refraction: 1.548
Molar Refractivity: 72.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.27
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 16.16
ACD/KOC (pH 5.5): 220.41
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 26.77
ACD/KOC (pH 7.4): 365.02
Polar Surface Area: 62 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 226.7±3.0 cm3

Click to predict properties on the Chemicalize site






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