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Search term: 1-tert-Butyl 4-benzyl 6-(hydroxymethyl)-1,4-diazepane-1,4-dicarboxylate (Found by approved synonym)
ChemSpider 2D Image | Benzyl tert-butyl 6-(hydroxymethyl)-1,4-diazepane-1,4-dicarboxylate | C19H28N2O5

Benzyl tert-butyl 6-(hydroxymethyl)-1,4-diazepane-1,4-dicarboxylate

  • Molecular FormulaC19H28N2O5
  • Average mass364.436 Da
  • Monoisotopic mass364.199829 Da
  • ChemSpider ID23499595

More details:

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

1105187-33-4 [RN]
1H-1,4-Diazepine-1,4(5H)-dicarboxylic acid, tetrahydro-6-(hydroxymethyl)-, 1,1-dimethylethyl phenylmethyl ester [ACD/Index Name]
1-tert-Butyl 4-benzyl 6-(hydroxymethyl)-1,4-diazepane-1,4-dicarboxylate
6-(Hydroxyméthyl)-1,4-diazépane-1,4-dicarboxylate de benzyle et de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Benzyl 2-methyl-2-propanyl 6-(hydroxymethyl)-1,4-diazepane-1,4-dicarboxylate [ACD/IUPAC Name]
Benzyl tert-butyl 6-(hydroxymethyl)-1,4-diazepane-1,4-dicarboxylate
Benzyl-2-methyl-2-propanyl-6-(hydroxymethyl)-1,4-diazepan-1,4-dicarboxylat [German] [ACD/IUPAC Name]
[1105187-33-4] [RN]
1053656-94-2 [RN]
110518-73-5 [RN]
More...

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

1001754-31-9, 1053656-94-2 [DBID]
CCRIS 4693 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 496.8±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 80.5±3.0 kJ/mol
    Flash Point: 254.3±25.9 °C
    Index of Refraction: 1.535
    Molar Refractivity: 96.7±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.76
    ACD/LogD (pH 5.5): 2.39
    ACD/BCF (pH 5.5): 38.86
    ACD/KOC (pH 5.5): 477.93
    ACD/LogD (pH 7.4): 2.39
    ACD/BCF (pH 7.4): 38.86
    ACD/KOC (pH 7.4): 477.93
    Polar Surface Area: 79 Å2
    Polarizability: 38.3±0.5 10-24cm3
    Surface Tension: 46.4±3.0 dyne/cm
    Molar Volume: 310.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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