ChemSpider 2D Image | tert-Butyl 3-((4-bromobenzyl)amino)azetidine-1-carboxylate | C15H21BrN2O2

tert-Butyl 3-((4-bromobenzyl)amino)azetidine-1-carboxylate

  • Molecular FormulaC15H21BrN2O2
  • Average mass341.243 Da
  • Monoisotopic mass340.078644 Da
  • ChemSpider ID26555947

More details:

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

1-Azetidinecarboxylic acid, 3-[[(4-bromophenyl)methyl]amino]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-[(4-bromobenzyl)amino]-1-azetidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-[(4-brombenzyl)amino]-1-azetidincarboxylat [German] [ACD/IUPAC Name]
3-[(4-Bromobenzyl)amino]-1-azétidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
887579-73-9 [RN]
tert-Butyl 3-((4-bromobenzyl)amino)azetidine-1-carboxylate
1-AZETIDINECARBOXYLICACID, 3-[[(4-BROMOPHENYL)METHYL]AMINO]-, 1,1-DIMETHYLETHYL ESTER
3-(4-Bromo-benzylamino)-azetidine-1-carboxylic acid tert-butyl ester
4066-39-1 [RN]
CC(C)(C)OC(=O)N1CC(C1)NCC1=CC=C(Br)C=C1
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 414.2±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.7±3.0 kJ/mol
    Flash Point: 204.3±27.3 °C
    Index of Refraction: 1.582
    Molar Refractivity: 83.5±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.95
    ACD/LogD (pH 5.5): 0.73
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.74
    ACD/LogD (pH 7.4): 2.44
    ACD/BCF (pH 7.4): 28.57
    ACD/KOC (pH 7.4): 241.98
    Polar Surface Area: 42 Å2
    Polarizability: 33.1±0.5 10-24cm3
    Surface Tension: 48.4±5.0 dyne/cm
    Molar Volume: 250.3±5.0 cm3

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