ChemSpider 2D Image | tert-butyl 4-({[(E)-(dimethylamino)methylidene]carbamoyl}methyl)piperazine-1-carboxylate | C14H26N4O3

tert-butyl 4-({[(E)-(dimethylamino)methylidene]carbamoyl}methyl)piperazine-1-carboxylate

  • Molecular FormulaC14H26N4O3
  • Average mass298.381 Da
  • Monoisotopic mass298.200500 Da
  • ChemSpider ID29204267

  • Double-bond stereo - Double-bond stereo

More details:

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

1417368-22-9 [RN]
1-Piperazinecarboxylic acid, 4-[2-[[(1E)-(dimethylamino)methylene]amino]-2-oxoethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(2-{(E)-[(dimethylamino)methylene]amino}-2-oxoethyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(2-{(E)-[(dimethylamino)methylen]amino}-2-oxoethyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-(2-{(E)-[(Diméthylamino)méthylène]amino}-2-oxoéthyl)-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 4-({[(E)-(dimethylamino)methylidene]carbamoyl}methyl)piperazine-1-carboxylate
1-piperazinecarboxylic acid, 4-[2-[[(1E)(dimethylamino)methylene]amino]-2-oxoethyl], 1,1-dimethylethyl ester
MFCD24849102 [MDL number]
TERT-BUTYL 4-({[(1E)-(DIMETHYLAMINO)METHYLIDENE]CARBAMOYL}METHYL)PIPERAZINE-1-CARBOXYLATE
tert-Butyl 4-(2-(((dimethylamino)methylene)amino)-2-oxoethyl)piperazine-1-carboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 392.1±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.2±3.0 kJ/mol
    Flash Point: 190.9±30.7 °C
    Index of Refraction: 1.523
    Molar Refractivity: 82.1±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 0.78
    ACD/LogD (pH 5.5): 0.84
    ACD/BCF (pH 5.5): 2.26
    ACD/KOC (pH 5.5): 54.43
    ACD/LogD (pH 7.4): 1.04
    ACD/BCF (pH 7.4): 3.64
    ACD/KOC (pH 7.4): 87.61
    Polar Surface Area: 65 Å2
    Polarizability: 32.6±0.5 10-24cm3
    Surface Tension: 38.7±7.0 dyne/cm
    Molar Volume: 268.7±7.0 cm3

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