(R)-3-Hydroxypyrrolidine HClCAS104706-47-0

Details:

Physicochemical properties of (R) -3-hydroxypyrrolidine hydrochloride

The boiling point was 224.7ºC at 760 mmHg

Melting point 104-107 °C(lit.)

The molecular formula is C4H10ClNO

Its molecular weight was 123.581

The exact mass was 123.045090

PSA was 32.26000

LogP 0.47140

Refractive index -7.8 ° (C=3.5, MeOH)

Storage conditions

Seal storage, store in a cool, dry warehouse.

 

stability

Stable at room temperature and pressure, avoid contact with strong oxidants.

 

Molecular structure

1. Molar refractive index: not available

 

2, molar volume (cm3/mol) : not available

 

3, isotonic specific volume (90.2K) : not available

 

4. Surface tension (dyne/cm) : not available

 

5, dielectric constant: not available

 

6, polarizability (10-24cm3) : not available

 

7. Mass of a single isotope: 123.045092 Da

 

8. Nominal mass: 123 Da

 

9. Average mass: 123.5813 Da

 

Computational chemistry

1. Reference value of hydrophobic parameter calculation (XlogP) : None

 

2. Number of hydrogen bond donors :3

 

3. Number of hydrogen bond acceptors :2

 

4. Number of rotatable chemical bonds :0

 

5. Number of tautomers: None

 

6. Polar surface area of topological molecules 32.3

 

7. Number of heavy atoms :7

 

8. Surface charge :0

 

9. Complexity :46.8

 

10. Number of isotope atoms :0

 

11. Determine the number of atomic structuring centers :1

 

12. The number of uncertain atomic construction centers :0

 

13. Determine the number of chemical bond formation centers :0

 

14. The number of uncertain chemical bond formation centers :0

 

15. Number of covalent bond units :2

 

More

1. Properties: light brown crystalline powder

 

2. Density (g/mL,25℃) : not determined

 

3. Relative vapor density (g/mL, air =1) : Not determined

 

4. Melting point (ºC) : 104-107

 

5. Boiling point (ºC, normal pressure) : not determined

 

6. Boiling point (ºC, 35mmHg) : Not determined

 

7. Refractive index (n20/D) : not determined

 

8. Flash point (ºC) : Not determined

 

9. Specific rotation (º) : -7.8

 

10. Spontaneous ignition point or ignition temperature (ºC) : not determined

 

11. Vapor pressure (mmHg,20ºC) : Undetermined

 

12. Saturated vapor pressure (kPa,25ºC) : not determined

 

13. Heat of combustion (KJ/mol) : not determined

 

14. Critical temperature (ºC) : not determined

 

15. Critical pressure (KPa) : not determined

 

16. Log value of oil-water (octanol/water) partition coefficient: not determined

 

17. Upper limit of explosion (%,V/V) : not determined

 

18. Lower explosion limit (%,V/V) : not determined

 

19. Solubility: not determined