ChemSpider 2D Image | (2E)-4-{N'-[4-(4-tert-butyl-benzyl)-pyridine-3-carbonyl]-hydrazino}-4-oxo-but-2-enoic acid | C21H23N3O4

(2E)-4-{N'-[4-(4-tert-butyl-benzyl)-pyridine-3-carbonyl]-hydrazino}-4-oxo-but-2-enoic acid

  • Molecular FormulaC21H23N3O4
  • Average mass381.425 Da
  • Monoisotopic mass381.168854 Da
  • ChemSpider ID35035549
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E)-4-[2-({4-[4-(2-Methyl-2-propanyl)benzyl]-3-pyridinyl}carbonyl)hydrazino]-4-oxo-2-butenoic acid [ACD/IUPAC Name]
(2E)-4-[2-({4-[4-(2-Methyl-2-propanyl)benzyl]-3-pyridinyl}carbonyl)hydrazino]-4-oxo-2-butensäure [German] [ACD/IUPAC Name]
(2E)-4-{N'-[4-(4-tert-butyl-benzyl)-pyridine-3-carbonyl]-hydrazino}-4-oxo-but-2-enoic acid
2-Butenedioic acid, mono[2-[[4-[[4-(1,1-dimethylethyl)phenyl]methyl]-3-pyridinyl]carbonyl]hydrazide], (2E)- [ACD/Index Name]
Acide (2E)-4-[2-({4-[4-(2-méthyl-2-propanyl)benzyl]-3-pyridinyl}carbonyl)hydrazino]-4-oxo-2-buténoïque [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 660.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 353.3±31.5 °C
Index of Refraction: 1.585
Molar Refractivity: 104.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.37
ACD/LogD (pH 5.5): -0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.02
ACD/LogD (pH 7.4): -1.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 108 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 312.8±3.0 cm3

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