ChemSpider 2D Image | Methyl 5-amino-2-(4-nitro-1-oxoisoindolin-2-yl)-5-oxopentanoate | C14H15N3O6

Methyl 5-amino-2-(4-nitro-1-oxoisoindolin-2-yl)-5-oxopentanoate

  • Molecular FormulaC14H15N3O6
  • Average mass321.285 Da
  • Monoisotopic mass321.096100 Da
  • ChemSpider ID28536627

More details:

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

2H-Isoindole-2-acetic acid, α-(3-amino-3-oxopropyl)-1,3-dihydro-4-nitro-1-oxo-, methyl ester [ACD/Index Name]
5-Amino-2-(4-nitro-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-5-oxopentanoate de méthyle [French] [ACD/IUPAC Name]
878782-79-7 [RN]
Methyl 5-amino-2-(4-nitro-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-5-oxopentanoate [ACD/IUPAC Name]
Methyl 5-amino-2-(4-nitro-1-oxoisoindolin-2-yl)-5-oxopentanoate
Methyl-5-amino-2-(4-nitro-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-5-oxopentanoat [German] [ACD/IUPAC Name]
[878782-79-7] [RN]
1544417-43-7 [RN]
4-Nitro-α-(3-amino-3-oxopropyl)1,3-dihydro-1-oxo-2H-isoindole-2-acetic acid methyl ester
878782-81-1 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 627.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 333.1±31.5 °C
Index of Refraction: 1.606
Molar Refractivity: 77.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.47
ACD/LogD (pH 5.5): 0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 34.85
ACD/LogD (pH 7.4): 0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 34.85
Polar Surface Area: 136 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 66.8±3.0 dyne/cm
Molar Volume: 223.8±3.0 cm3

Click to predict properties on the Chemicalize site


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