Vitamin B6 hydrochloride

Compound Structure

CAS Number: 58-56-0

Molecular Mass: 205.64 g/mol

Formula: C8H12ClNO3

Smiles: Cc1ncc(CO)c(CO)c1O.Cl

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
Ethanol 278.15 - 1.602 [89]
Ethanol 283.15 - 1.724 [89]
Ethanol 288.15 - 1.973 [89]
Ethanol 293.15 - 2.296 [89]
Ethanol 298.15 - 2.811 [89]
Ethanol 303.15 - 3.451 [89]
Ethanol 308.15 - 4.08 [89]
Ethanol 313.15 - 4.953 [89]
Methanol 278.15 - 11.47 [89]
Methanol 283.15 - 13.04 [89]
Methanol 288.15 - 14.35 [89]
Methanol 293.15 - 16.76 [89]
Methanol 298.15 - 18.9 [89]
Methanol 303.15 - 21.4 [89]
Methanol 308.15 - 24.37 [89]
Methanol 313.15 - 27.35 [89]
Water 278.15 - 121.2 [89]
Water 278.15 - 117.9 [90]
Water 283.15 - 142.3 [89]
Water 283.15 - 139.0 [90]
Water 288.15 - 166.5 [89]
Water 288.15 - 162.5 [90]
Water 293.15 - 194.9 [89]
Water 293.15 - 190.8 [90]
Water 298.15 - 221.8 [89]
Water 298.15 - 216.4 [90]
Water 303.15 - 256.0 [89]
Water 303.15 - 250.3 [90]
Water 308.15 - 291.2 [89]
Water 308.15 - 284.7 [90]
Water 313.15 - 332.9 [89]
Water 313.15 - 335.6 [90]

Molecule 3D descriptors

Descriptor Value
PMI1 429.2665
PMI2 647.4920
PMI3 1028.4550
NPR1 0.4174
NPR2 0.6296
RadiusOfGyration 2.2624
InertialShapeFactor 0.0015
Eccentricity 0.9087
Asphericity 0.2490
SpherocityIndex 0.1346
PBF 0.4249