(3R)-(+)-1-BENZYL-3-(TERT-BUTOXYCARBONYLAMINO)PYRROLIDINE CAS131878-23-4

Details:

Density 1.1± 0.1g /cm3
Boiling point 385.1±31.0 °C at 760 mmHg
Melting point 77-81 °C(lit.)
Molecular formula C16H24N2O2
Molecular weight 276.374
Flash point 186.7±24.8 °C
Accurate mass 276.183777
The PSA is 41.57,000
LogP 2.81
Vapor pressure 0.0±0.9 mmHg at 25°C
Refractive index 1.546
Storage condition
Keep the storage device sealed and stored in a cool, dry place. Ensure that the workshop is well ventilated or vented

stability
Will not decompose if used and stored according to specifications. No known hazardous reactions

Molecular structure
1. Molar refractive index: 80.38

2, molar volume (cm3/mol) : 253.7

3. Isotropic specific volume (90.2K) : 649.1

4. Surface tension (dyne/cm) : 42.8

5. Dielectric constant: unavailable

6. Polarization (10-24cm3) : 31.86

7. Single isotope mass: 276.183778 Da

8. Nominal quality: 276 Da

9. Average quality: 276.374 Da

Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) :2.7

2. Number of hydrogen bond donors :1

3. Number of hydrogen bond receptors :3

4. Number of rotatable bonds :5

5. Number of tautomers :2

6. Topological molecular polar surface area 41.6

7. Number of heavy atoms :20

8. Surface charge :0

9. Complexity :319

10. Number of isotope atoms :0

11. Determine the number of atomic constitutive centers :1

12. Number of indeterminate atomic orthotropic centers :0

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

14. Number of uncertain bond constitutive centers :0

15. Number of covalent bond units :1

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