(S)-3-Hydroxypyrrolidine hydrochlorideCAS122536-94-1

Details:

The boiling point was 224.7ºC at 760 mmHg

Melting point 104-107ºC

The molecular formula is C4H10ClNO

Its molecular weight was 123.581

The flash point was 105.8ºC

The exact mass was 123.045090

PSA was 32.26000

LogP 0.47140

Appearance White crystalline powder

The vapor pressure was 0.018mmHg at 25°C

Storage conditions Room temperature.

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. Character: Undetermined

 

2. Density (g/mL,20℃) : 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,KPa) : not determined

 

7. Refractive index: not determined

 

8. Flash point (ºC) : Not determined

 

9. Specific rotation (º) : not determined

 

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

 

11. Vapor pressure (Pa,20ºC) : not determined

 

12. Saturated vapor pressure (KPa,20ºC) : 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