Found 259 results

Search term: MF = 'C_{13}H_{22}BNO_{3}'
ChemSpider 2D Image | (3-{[Isobutyl(methyl)amino]methyl}-4-methoxyphenyl)boronic acid | C13H22BNO3

(3-{[Isobutyl(methyl)amino]methyl}-4-methoxyphenyl)boronic acid

  • Molecular FormulaC13H22BNO3
  • Average mass251.130 Da
  • Monoisotopic mass251.169281 Da
  • ChemSpider ID33952231

More details:

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

(3-{[Isobutyl(methyl)amino]methyl}-4-methoxyphenyl)boronic acid [ACD/IUPAC Name]
(3-{[Isobutyl(methyl)amino]methyl}-4-methoxyphenyl)borsäure [German] [ACD/IUPAC Name]
Acide (3-{[isobutyl(méthyl)amino]méthyl}-4-méthoxyphényl)boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[4-methoxy-3-[[methyl(2-methylpropyl)amino]methyl]phenyl]- [ACD/Index Name]
1332747-10-0 [RN]
MFCD16198225

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

Density: 1.1±0.1 g/cm3
Boiling Point: 374.0±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.6±3.0 kJ/mol
Flash Point: 180.0±30.7 °C
Index of Refraction: 1.520
Molar Refractivity: 71.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.67
ACD/LogD (pH 5.5): -0.37
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): 2.70
ACD/KOC (pH 7.4): 33.71
Polar Surface Area: 53 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 40.9±5.0 dyne/cm
Molar Volume: 234.5±5.0 cm3

Click to predict properties on the Chemicalize site


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