ChemSpider 2D Image | [2-Acetyl-1-(diaminomethyl)-1,2,3,4-tetrahydro-7-isoquinolinyl]boronic acid | C12H18BN3O3

[2-Acetyl-1-(diaminomethyl)-1,2,3,4-tetrahydro-7-isoquinolinyl]boronic acid

  • Molecular FormulaC12H18BN3O3
  • Average mass263.101 Da
  • Monoisotopic mass263.144135 Da
  • ChemSpider ID108438347

More details:

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

[2-Acetyl-1-(diaminomethyl)-1,2,3,4-tetrahydro-7-isochinolinyl]borsäure [German] [ACD/IUPAC Name]
[2-Acetyl-1-(diaminomethyl)-1,2,3,4-tetrahydro-7-isoquinolinyl]boronic acid [ACD/IUPAC Name]
Acide [2-acétyl-1-(diaminométhyl)-1,2,3,4-tétrahydro-7-isoquinoléinyl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[2-acetyl-1-(diaminomethyl)-1,2,3,4-tetrahydro-7-isoquinolinyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 529.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 273.7±32.9 °C
Index of Refraction: 1.627
Molar Refractivity: 70.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -0.15
ACD/LogD (pH 5.5): -3.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 113 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 66.5±5.0 dyne/cm
Molar Volume: 198.2±5.0 cm3

Click to predict properties on the Chemicalize site


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