ChemSpider 2D Image | LB-100 | C13H20N2O4

LB-100

  • Molecular FormulaC13H20N2O4
  • Average mass268.309 Da
  • Monoisotopic mass268.142303 Da
  • ChemSpider ID58170896

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(1R,4S)-3-[(4-Methyl-1-piperazinyl)carbonyl]-7-oxabicyclo[2.2.1]heptan-2-carbonsäure [German] [ACD/IUPAC Name]
(1R,4S)-3-[(4-Methyl-1-piperazinyl)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid [ACD/IUPAC Name]
1632032-53-1 [RN]
3-[(4-Methylpiperazin-1-yl)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
7-Oxabicyclo[2.2.1]heptane-2-carboxylic acid, 3-[(4-methyl-1-piperazinyl)carbonyl]-, (1R,4S)- [ACD/Index Name]
7-Oxabicyclo[2.2.1]heptane-2-carboxylic acid, 3-[(4-methyl-1-piperazinyl)carbonyl]-, (1R,4S)-rel-
Acide (1R,4S)-3-[(4-méthyl-1-pipérazinyl)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylique [French] [ACD/IUPAC Name]
LB-100
(1R,4S)-3-(4-methylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
2202-17-7 [RN]
More...

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

0C1JUU9S0L [DBID]
UNII:0C1JUU9S0L [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 486.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 82.4±6.0 kJ/mol
Flash Point: 248.3±28.7 °C
Index of Refraction: 1.562
Molar Refractivity: 66.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.56
ACD/LogD (pH 5.5): -2.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 70 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 204.4±3.0 cm3

Click to predict properties on the Chemicalize site


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