Diazepam

Compound Structure

CAS Number: 439-14-5

Molecular Mass: 284.74 g/mol

Formula: C16H13ClN2O

Smiles: CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
Ethanol 298.2 - 23.72 [403]
Ethanol 303.2 - 25.29 [403]
Ethanol 308.2 - 26.7 [403]
Ethanol 313.2 - 31.83 [403]
Ethanol 318.2 - 37.02 [403]
N-Methyl-2-pyrrolidone 298.2 - 247.8 [403]
N-Methyl-2-pyrrolidone 303.2 - 424.6 [403]
N-Methyl-2-pyrrolidone 308.2 - 468.6 [403]
N-Methyl-2-pyrrolidone 313.2 - 524.9 [403]
N-Methyl-2-pyrrolidone 318.2 - 565.8 [403]
Propylene Glycol 298.2 - 7.78 [403]
Propylene Glycol 303.2 - 10.62 [403]
Propylene Glycol 308.2 - 17.89 [403]
Propylene Glycol 313.2 - 20.58 [403]
Propylene Glycol 318.2 - 26.03 [403]
Water 293.15 - 0.04241 [404]
Water 298.2 - 0.01984 [403]
Water 299.15 - 0.04742 [404]
Water 303.15 - 0.0567 [404]
Water 303.2 - 0.02592 [403]
Water 303.2 - 0.063 [405]
Water 308.15 - 0.0624 [404]
Water 308.2 - 0.03746 [403]
Water 313.15 - 0.07622 [404]
Water 313.2 - 0.04489 [403]
Water 318.2 - 0.0655 [403]
tert-Butanol 299.15 - 19.13 [404]
tert-Butanol 303.15 - 22.87 [404]
tert-Butanol 308.15 - 27.7 [404]
tert-Butanol 313.15 - 35.53 [404]

Molecule 3D descriptors

Descriptor Value
PMI1 1559.8994
PMI2 1738.3334
PMI3 2876.7511
NPR1 0.5422
NPR2 0.6043
RadiusOfGyration 3.2929
InertialShapeFactor 0.0004
Eccentricity 0.8402
Asphericity 0.1606
SpherocityIndex 0.3436
PBF 0.9937