ChemSpider 2D Image | TERT-BUTYL 4-(3-{[(BENZYLOXY)CARBONYL]AMINO}-2-HYDROXYPROPYL)PIPERAZINE-1-CARBOXYLATE | C20H31N3O5

TERT-BUTYL 4-(3-{[(BENZYLOXY)CARBONYL]AMINO}-2-HYDROXYPROPYL)PIPERAZINE-1-CARBOXYLATE

  • Molecular FormulaC20H31N3O5
  • Average mass393.477 Da
  • Monoisotopic mass393.226379 Da
  • ChemSpider ID24957724

More details:

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

1086398-32-4 [RN]
1-Piperazinecarboxylic acid, 4-[2-hydroxy-3-[[(phenylmethoxy)carbonyl]amino]propyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(3-{[(benzyloxy)carbonyl]amino}-2-hydroxypropyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(3-{[(benzyloxy)carbonyl]amino}-2-hydroxypropyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-(3-{[(Benzyloxy)carbonyl]amino}-2-hydroxypropyl)-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
TERT-BUTYL 4-(3-{[(BENZYLOXY)CARBONYL]AMINO}-2-HYDROXYPROPYL)PIPERAZINE-1-CARBOXYLATE
4-(3-Benzyloxycarbonylamino-2-hydroxy-propyl)-piperazine-1-carboxylic acid tert-butyl ester
4-(3-N-Cbz-Amino-2-hydroxy-propyl)-1-Boc-piperazine
MFCD11501251
tert-Butyl 4-(3-(((benzyloxy)carbonyl)amino)-2-hydroxypropyl)piperazine-1-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 558.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 291.8±30.1 °C
Index of Refraction: 1.542
Molar Refractivity: 105.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 14.60
ACD/KOC (pH 5.5): 166.06
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 49.66
ACD/KOC (pH 7.4): 564.65
Polar Surface Area: 91 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 333.7±3.0 cm3

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