Found 14 results

Search term: MF = 'C_{18}H_{21}BN_{2}O_{2}'
ChemSpider 2D Image | (4-{[(4-Cyano-1-phenylbutyl)amino]methyl}phenyl)boronic acid | C18H21BN2O2

(4-{[(4-Cyano-1-phenylbutyl)amino]methyl}phenyl)boronic acid

  • Molecular FormulaC18H21BN2O2
  • Average mass308.182 Da
  • Monoisotopic mass308.169617 Da
  • ChemSpider ID72940127

More details:

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

(4-{[(4-Cyan-1-phenylbutyl)amino]methyl}phenyl)borsäure [German] [ACD/IUPAC Name]
(4-{[(4-Cyano-1-phenylbutyl)amino]methyl}phenyl)boronic acid [ACD/IUPAC Name]
Acide (4-{[(4-cyano-1-phénylbutyl)amino]méthyl}phényl)boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[4-[[(4-cyano-1-phenylbutyl)amino]methyl]phenyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 552.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 287.9±32.9 °C
Index of Refraction: 1.585
Molar Refractivity: 89.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.79
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 13.08
ACD/KOC (pH 7.4): 132.14
Polar Surface Area: 76 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 266.8±5.0 cm3

Click to predict properties on the Chemicalize site


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