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(S)-(-)-1-tert-Butoxycarbonyl-3-aminopyrrolidine S)-(?)-1-Boc-3-aminopyrrolidine 1-Pyrrolidinecarboxylic acid, 3-amino-, 1,1-dimethylethyl ester
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Density 1.1 ± 0.1 g/cm3
Boiling point 257.4 ± 33.0 ° C at 760 mmHg
Molecular formula C9H18N2O2
Molecular weight 186.25
Flash point 109.5 ± 25.4 ° C
Accurate quality 186.136826
PSA 55.56000
LogP 0.28
Appearance: Colorless to light yellow liquid
Steam pressure 0.0 ± 0.5 mmHg at 25 ° C
Refractive index 1.489
Storage conditions
Storage method: Sealed, cool, ventilated and dry place
Stability
Avoiding oxides, air, and moisture
Molecular structure
1. Molar refractive index: 50.38
2. Molar volume (cm3/mol): 174.5
3. Isometric volume (90.2K): 436.7
4. Surface tension (dyne/cm): 39.2
5. Dielectric constant: None available
6. Polarization rate (10-24cm3): 19.97
7. Single isotope mass: 186.136828 Da
8. Nominal mass: 186 Da
9. Average mass: 186.2514 Da
Computational Chemistry
1. Reference value for hydrophobic parameter calculation (XlogP): 0.4
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond receptors: 3
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: None
6. Topological molecule polarity surface area 55.6
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 198
10. Number of Isotope Atoms: 0
11. Determine the number of atomic structure centers: 1
12. Number of uncertain atomic structure centers: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
More
1. Character: Colorless liquid
2. Density (g/mL, 20 ℃): 1.02
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (º C): Undetermined
5. Boiling point (º C, atmospheric pressure): 216-217
6. Boiling point (º C 3mmHg): Undetermined
7. Refractive index: n20/D1.4720
8. Flash point (º F): 196
9. Specific rotation (º): -2 º
10. Self ignition point or ignition temperature (º C): Undetermined
11. Vapor pressure (kPa, 25 º C): Undetermined
12. Saturated vapor pressure (kPa, 60 º C): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (º C): Undetermined
15. Critical pressure (KPa): Undetermined
16. logarithmic value of oil-water (octanol/water) distribution coefficient: undetermined
17. Upper explosion limit (%, V/V): Undetermined
18. Lower explosive limit (%, V/V): Not available
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