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Search term: GOMFPMNFGUSIKQ-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-{[2-(1H-Indol-3-yl)ethyl]amino}-5-nitrobenzoic acid | C17H15N3O4

2-{[2-(1H-Indol-3-yl)ethyl]amino}-5-nitrobenzoic acid

  • Molecular FormulaC17H15N3O4
  • Average mass325.319 Da
  • Monoisotopic mass325.106262 Da
  • ChemSpider ID35228068

More details:

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

2-{[2-(1H-Indol-3-yl)ethyl]amino}-5-nitrobenzoesäure [German] [ACD/IUPAC Name]
2-{[2-(1H-Indol-3-yl)ethyl]amino}-5-nitrobenzoic acid [ACD/IUPAC Name]
Acide 2-{[2-(1H-indol-3-yl)éthyl]amino}-5-nitrobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[2-(1H-indol-3-yl)ethyl]amino]-5-nitro- [ACD/Index Name]
1018699-69-8 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 632.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 336.4±31.5 °C
Index of Refraction: 1.749
Molar Refractivity: 90.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.13
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 4.65
ACD/KOC (pH 5.5): 19.01
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 1.37
ACD/KOC (pH 7.4): 5.60
Polar Surface Area: 111 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 76.5±3.0 dyne/cm
Molar Volume: 222.9±3.0 cm3

Click to predict properties on the Chemicalize site


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