ChemSpider 2D Image | Ethyl 4-{2-[(3-isopropoxypropyl)amino]-2-oxoethyl}-1-piperazinecarboxylate | C15H29N3O4

Ethyl 4-{2-[(3-isopropoxypropyl)amino]-2-oxoethyl}-1-piperazinecarboxylate

  • Molecular FormulaC15H29N3O4
  • Average mass315.409 Da
  • Monoisotopic mass315.215820 Da
  • ChemSpider ID26163925

More details:

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

1-Piperazinecarboxylic acid, 4-[2-[[3-(1-methylethoxy)propyl]amino]-2-oxoethyl]-, ethyl ester [ACD/Index Name]
4-{2-[(3-Isopropoxypropyl)amino]-2-oxoéthyl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{2-[(3-isopropoxypropyl)amino]-2-oxoethyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{2-[(3-isopropoxypropyl)amino]-2-oxoethyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]
ETHYL 4-({[3-(PROPAN-2-YLOXY)PROPYL]CARBAMOYL}METHYL)PIPERAZINE-1-CARBOXYLATE
ETHYL 4-{[(3-ISOPROPOXYPROPYL)CARBAMOYL]METHYL}PIPERAZINE-1-CARBOXYLATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 469.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.2±3.0 kJ/mol
Flash Point: 237.9±28.7 °C
Index of Refraction: 1.485
Molar Refractivity: 83.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.18
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 4.20
ACD/KOC (pH 5.5): 95.27
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 4.51
ACD/KOC (pH 7.4): 102.26
Polar Surface Area: 71 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 292.0±3.0 cm3

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