Labetalol hydrochloride

Compound Structure

CAS Number: 32780-64-6

Molecular Mass: 364.9 g/mol

Formula: C19H25ClN2O3

Smiles: CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1.Cl

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1-Butanol 288.15 - 1.542 [334]
1-Butanol 293.15 - 1.862 [334]
1-Butanol 298.15 - 2.243 [334]
1-Butanol 303.15 - 2.667 [334]
1-Butanol 308.15 - 3.178 [334]
1-Butanol 313.15 - 3.785 [334]
1-Butanol 318.15 - 4.52 [334]
1-Butanol 323.15 - 5.275 [334]
1-Butanol 328.15 - 6.293 [334]
1-Propanol 288.15 - 2.345 [334]
1-Propanol 293.15 - 2.83 [334]
1-Propanol 298.15 - 3.45 [334]
1-Propanol 303.15 - 4.067 [334]
1-Propanol 308.15 - 4.8 [334]
1-Propanol 313.15 - 5.792 [334]
1-Propanol 318.15 - 6.859 [334]
1-Propanol 323.15 - 8.198 [334]
1-Propanol 328.15 - 9.148 [334]
2-Butanol 288.15 - 0.6664 [334]
2-Butanol 293.15 - 0.8378 [334]
2-Butanol 298.15 - 1.098 [334]
2-Butanol 303.15 - 1.32 [334]
2-Butanol 308.15 - 1.607 [334]
2-Butanol 313.15 - 2.002 [334]
2-Butanol 318.15 - 2.486 [334]
2-Butanol 323.15 - 3.091 [334]
2-Butanol 328.15 - 3.757 [334]
Ethanol 288.15 - 7.801 [334]
Ethanol 293.15 - 9.081 [334]
Ethanol 298.15 - 10.6 [334]
Ethanol 303.15 - 12.27 [334]
Ethanol 308.15 - 13.68 [334]
Ethanol 313.15 - 15.51 [334]
Ethanol 318.15 - 17.56 [334]
Ethanol 323.15 - 21.2 [334]
Ethanol 328.15 - 23.83 [334]
Ethyl acetate 288.15 - 0.4355 [334]
Ethyl acetate 293.15 - 0.608 [334]
Ethyl acetate 298.15 - 0.8781 [334]
Ethyl acetate 303.15 - 1.111 [334]
Ethyl acetate 308.15 - 1.484 [334]
Ethyl acetate 313.15 - 1.927 [334]
Ethyl acetate 318.15 - 2.483 [334]
Ethyl acetate 323.15 - 2.945 [334]
Ethyl acetate 328.15 - 3.872 [334]
Isobutanol 288.15 - 0.5396 [334]
Isobutanol 293.15 - 0.7266 [334]
Isobutanol 298.15 - 1.01 [334]
Isobutanol 303.15 - 1.275 [334]
Isobutanol 308.15 - 1.67 [334]
Isobutanol 313.15 - 2.17 [334]
Isobutanol 318.15 - 2.809 [334]
Isobutanol 323.15 - 3.762 [334]
Isobutanol 328.15 - 4.81 [334]
Isopropanol 288.15 - 0.528 [334]
Isopropanol 293.15 - 0.7824 [334]
Isopropanol 298.15 - 1.2 [334]
Isopropanol 303.15 - 1.675 [334]
Isopropanol 308.15 - 2.31 [334]
Isopropanol 313.15 - 3.15 [334]
Isopropanol 318.15 - 4.572 [334]
Isopropanol 323.15 - 6.46 [334]
Isopropanol 328.15 - 8.911 [334]
Methanol 288.15 - 80.73 [334]
Methanol 293.15 - 91.91 [334]
Methanol 298.15 - 103.3 [334]
Methanol 303.15 - 117.0 [334]
Methanol 308.15 - 129.3 [334]
Methanol 313.15 - 144.8 [334]
Methanol 318.15 - 162.0 [334]
Methanol 323.15 - 180.9 [334]
Methanol 328.15 - 201.3 [334]
Water 288.15 - 14.4 [334]
Water 293.15 - 18.17 [334]
Water 298.15 - 23.86 [334]
Water 303.15 - 29.28 [334]
Water 308.15 - 34.69 [334]
Water 313.15 - 42.7 [334]
Water 318.15 - 53.49 [334]
Water 323.15 - 67.67 [334]
Water 328.15 - 81.99 [334]

Molecule 3D descriptors

Descriptor Value
PMI1 675.2911
PMI2 8058.3354
PMI3 8471.8649
NPR1 0.0797
NPR2 0.9512
RadiusOfGyration 4.8557
InertialShapeFactor 0.0014
Eccentricity 0.9968
Asphericity 0.7801
SpherocityIndex 0.0716
PBF 0.5928