ChemSpider 2D Image | (4-{3-[(2Z)-2-{2-[2-(Dimethylamino)ethoxy]-3-methoxybenzylidene}hydrazino]-3-oxopropyl}phenyl)boronic acid | C21H28BN3O5

(4-{3-[(2Z)-2-{2-[2-(Dimethylamino)ethoxy]-3-methoxybenzylidene}hydrazino]-3-oxopropyl}phenyl)boronic acid

  • Molecular FormulaC21H28BN3O5
  • Average mass413.275 Da
  • Monoisotopic mass413.212189 Da
  • ChemSpider ID99264400

  • Double-bond stereo - Double-bond stereo

More details:

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

(4-{3-[(2Z)-2-{2-[2-(Dimethylamino)ethoxy]-3-methoxybenzyliden}hydrazino]-3-oxopropyl}phenyl)borsäure [German] [ACD/IUPAC Name]
(4-{3-[(2Z)-2-{2-[2-(Dimethylamino)ethoxy]-3-methoxybenzylidene}hydrazino]-3-oxopropyl}phenyl)boronic acid [ACD/IUPAC Name]
Acide (4-{3-[(2Z)-2-{2-[2-(diméthylamino)éthoxy]-3-méthoxybenzylidène}hydrazino]-3-oxopropyl}phényl)boronique [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 4-borono-, 2-[(1Z)-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylene]hydrazide [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.544
Molar Refractivity: 113.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): -0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 2.53
ACD/KOC (pH 7.4): 29.49
Polar Surface Area: 104 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 41.3±7.0 dyne/cm
Molar Volume: 360.8±7.0 cm3

Click to predict properties on the Chemicalize site


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