220-222 °C, decomposes
MP: 215-220 °C with decomposition /D(+)-Proline/
MP: 205 °C with decomposition /DL-Proline/
221 °C
Density
1.064 at 24 °C
Physical Description
Dry Powder
Colorless solid; [HSDB] White powder;
Solid
White crystals or crystalline powder; odourless
Appearance
Flat needles from alcohol + ether; prisms from water
White crystals or crystalline powder
State
Solid
Storage Conditions
Keep container tightly closed in a dry and well-ventilated place. Storage class (TRGS 510): Non Combustible Solids.
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
28.66
TPSA
49.33
LogP / Solubility
WLOGP
-0.18
MLOGP
-0.17
XLogP3
-2.5
Consensus LogP
-0.95
Log S (ESOL)
-0.38
Class (ESOL)
Very soluble
Log S (Ali)
-0.38
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.38
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 419 of 423 companies (only 0.9% companies provided GHS information). For more detailed information, please visit ECHA C&L website.