Tris(hydroxymethyl)aminomethane

Compound Structure

CAS Number: 77-86-1

Molecular Mass: 121.14 g/mol

Formula: C4H11NO3

Smiles: NC(CO)(CO)CO

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1-Propanol 293.2 - 6.18 [442]
1-Propanol 298.2 - 8.1 [442]
1-Propanol 303.2 - 10.2 [442]
1-Propanol 308.2 - 11.6 [442]
1-Propanol 313.2 - 14.1 [442]
Methanol 293.2 - 22.9 [441]
Methanol 298.2 - 27.6 [441]
Methanol 303.2 - 31.65 [441]
Methanol 308.2 - 36.87 [441]
Methanol 313.2 - 46.86 [441]
Water 293.2 - 608.3 [442]
Water 298.2 - 679.0 [442]
Water 303.2 - 753.3 [442]
Water 308.2 - 823.3 [442]
Water 313.2 - 931.5 [442]

Molecule 3D descriptors

Descriptor Value
PMI1 204.9103
PMI2 317.1122
PMI3 405.9327
NPR1 0.5048
NPR2 0.7812
RadiusOfGyration 1.9571
InertialShapeFactor 0.0038
Eccentricity 0.8632
Asphericity 0.1414
SpherocityIndex 0.5746
PBF 0.8184