ChemSpider 2D Image | TERT-BUTYL 4-[2-(N-HYDROXYCARBAMIMIDOYL)ETHYL]PIPERAZINE-1-CARBOXYLATE | C12H24N4O3

TERT-BUTYL 4-[2-(N-HYDROXYCARBAMIMIDOYL)ETHYL]PIPERAZINE-1-CARBOXYLATE

  • Molecular FormulaC12H24N4O3
  • Average mass272.344 Da
  • Monoisotopic mass272.184845 Da
  • ChemSpider ID23376213

More details:

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

1105192-06-0 [RN]
1-piperazinecarboxylic acid, 4-[(3Z)-3-amino-3-(hydroxyimino)propyl]-, 1,1-dimethylethyl ester
1-Piperazinecarboxylic acid, 4-[3-(hydroxyamino)-3-iminopropyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[3-(hydroxyamino)-3-iminopropyl]-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[3-(hydroxyamino)-3-iminopropyl]-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-[3-(Hydroxyamino)-3-iminopropyl]-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 4-[(3Z)-3-amino-3-(hydroxyimino)propyl]piperazine-1-carboxylate
TERT-BUTYL 4-[2-(N-HYDROXYCARBAMIMIDOYL)ETHYL]PIPERAZINE-1-CARBOXYLATE
(Z)-tert-butyl 4-(3-amino-3-(hydroxyimino)propyl)piperazine-1-carboxylate
1-tert-Butyloxycarbonyl-4-[2-(N-hydroxycarbamimidoyl)ethyl]piperazine
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 430.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 79.2±6.0 kJ/mol
Flash Point: 214.2±31.5 °C
Index of Refraction: 1.548
Molar Refractivity: 71.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.43
ACD/LogD (pH 5.5): -0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.72
ACD/LogD (pH 7.4): 0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 31.24
Polar Surface Area: 91 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 45.0±7.0 dyne/cm
Molar Volume: 224.2±7.0 cm3

Click to predict properties on the Chemicalize site


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