ChemSpider 2D Image | 8-Amino-4-Boc-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine | C14H21N3O2

8-Amino-4-Boc-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine

  • Molecular FormulaC14H21N3O2
  • Average mass263.335 Da
  • Monoisotopic mass263.163391 Da
  • ChemSpider ID21373421

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

2-Methyl-2-propanyl 8-amino-1,2,3,5-tetrahydro-4H-1,4-benzodiazepine-4-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-8-amino-1,2,3,5-tetrahydro-4H-1,4-benzodiazepin-4-carboxylat [German] [ACD/IUPAC Name]
4H-1,4-Benzodiazepine-4-carboxylic acid, 8-amino-1,2,3,5-tetrahydro-, 1,1-dimethylethyl ester [ACD/Index Name]
886363-80-0 [RN]
8-Amino-1,2,3,5-tétrahydro-4H-1,4-benzodiazépine-4-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
8-Amino-4-Boc-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine
tert-Butyl 8-amino-1,2,3,5-tetrahydro-4H-1,4-benzodiazepine-4-carboxylate
tert-Butyl 8-amino-2,3-dihydro-1H-benzo[e][1,4]diazepine-4(5H)-carboxylate
[886363-80-0] [RN]
4-boc-8-amino-2,3,4,5-tetrahydro-1h-benzo(e)(1,4)diazepine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 430.9±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.6±3.0 kJ/mol
    Flash Point: 214.4±28.7 °C
    Index of Refraction: 1.559
    Molar Refractivity: 74.4±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.37
    ACD/LogD (pH 5.5): 1.23
    ACD/BCF (pH 5.5): 4.51
    ACD/KOC (pH 5.5): 89.40
    ACD/LogD (pH 7.4): 1.43
    ACD/BCF (pH 7.4): 7.17
    ACD/KOC (pH 7.4): 142.25
    Polar Surface Area: 68 Å2
    Polarizability: 29.5±0.5 10-24cm3
    Surface Tension: 45.0±3.0 dyne/cm
    Molar Volume: 230.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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