ChemSpider 2D Image | [1-(3-Nitro-4-{[1-(2-pyridinyl)ethyl]amino}benzoyl)-3-pyrrolidinyl]boronic acid | C18H21BN4O5

[1-(3-Nitro-4-{[1-(2-pyridinyl)ethyl]amino}benzoyl)-3-pyrrolidinyl]boronic acid

  • Molecular FormulaC18H21BN4O5
  • Average mass384.194 Da
  • Monoisotopic mass384.160492 Da
  • ChemSpider ID72952740

More details:

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

[1-(3-Nitro-4-{[1-(2-pyridinyl)ethyl]amino}benzoyl)-3-pyrrolidinyl]boronic acid [ACD/IUPAC Name]
[1-(3-Nitro-4-{[1-(2-pyridinyl)ethyl]amino}benzoyl)-3-pyrrolidinyl]borsäure [German] [ACD/IUPAC Name]
Acide [1-(3-nitro-4-{[1-(2-pyridinyl)éthyl]amino}benzoyl)-3-pyrrolidinyl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[1-[3-nitro-4-[[1-(2-pyridinyl)ethyl]amino]benzoyl]-3-pyrrolidinyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 645.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 344.4±34.3 °C
Index of Refraction: 1.636
Molar Refractivity: 99.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.12
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 7.28
ACD/KOC (pH 5.5): 138.07
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 8.40
ACD/KOC (pH 7.4): 159.28
Polar Surface Area: 132 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 69.2±5.0 dyne/cm
Molar Volume: 278.4±5.0 cm3

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