Found 14 results

Search term: MF = 'C_{18}H_{21}BN_{2}O_{2}'
ChemSpider 2D Image | 3,3-Dimethyl-7-{[(2E)-3-(4-pyridinyl)-2-propen-1-yl]amino}-3,4-dihydro-1H-2,1-benzoxaborinin-1-ol | C18H21BN2O2

3,3-Dimethyl-7-{[(2E)-3-(4-pyridinyl)-2-propen-1-yl]amino}-3,4-dihydro-1H-2,1-benzoxaborinin-1-ol

  • Molecular FormulaC18H21BN2O2
  • Average mass308.182 Da
  • Monoisotopic mass308.169617 Da
  • ChemSpider ID72923422

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-2,1-Benzoxaborin-7-amine, 3,4-dihydro-1-hydroxy-3,3-dimethyl-N-[(2E)-3-(4-pyridinyl)-2-propen-1-yl]- [ACD/Index Name]
3,3-Dimethyl-7-{[(2E)-3-(4-pyridinyl)-2-propen-1-yl]amino}-3,4-dihydro-1H-2,1-benzoxaborinin-1-ol [German] [ACD/IUPAC Name]
3,3-Dimethyl-7-{[(2E)-3-(4-pyridinyl)-2-propen-1-yl]amino}-3,4-dihydro-1H-2,1-benzoxaborinin-1-ol [ACD/IUPAC Name]
3,3-Diméthyl-7-{[(2E)-3-(4-pyridinyl)-2-propén-1-yl]amino}-3,4-dihydro-1H-2,1-benzoxaborinin-1-ol [French] [ACD/IUPAC 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: 514.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 265.0±32.9 °C
Index of Refraction: 1.595
Molar Refractivity: 89.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 54 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 264.8±5.0 cm3

Click to predict properties on the Chemicalize site


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