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| common name | N-Boc-aniline | English name | N-BOC-aniline |
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| CAS number | 3422-01-3 | molecular weight | 193.242 |
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| density | 1.1±0.1g/cm3 | boiling point | 235.3±9.0 °C at 760 mmHg |
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| molecular formula | C 11 H 15 NO 2 | melting point | 133-137°C(lit.) |
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| MSDS | Chinese VersionU.S. Edition | Flash point | 96.1±18.7°C |
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| density | 1.1±0.1g/cm3 |
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| boiling point | 235.3±9.0 °C at 760 mmHg |
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| melting point | 133-137°C(lit.) |
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| molecular formula | C 11 H 15 NO 2 |
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| molecular weight | 193.242 |
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| Flash point | 96.1±18.7°C |
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| accurate mass | 193.110275 |
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| PSA | 38.33000 |
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| LogP | 3.00 |
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| vapor pressure | 0.1±0.5 mmHg at 25°C |
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| Refractive index | 1.542 |
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| Storage conditions | Airtight, store in a cool and dry place |
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| stability | Stable under normal temperature and pressure |
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| Molecular Structure | 1. Molar refractive index: 56.13 2. Molar volume (m 3 /mol) : 178.4 3. Isotonic specific volume (90.2K): 445.1 4. Surface tension (dyne/cm): 38.7 5. Dielectric constant (F/m): not available 6. Dipole distance (D): not available 7. Polarizability (10 -24cm 3 ): 22.25 |
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| computational chemistry | 1. Hydrophobic parameter calculation reference value (XlogP): 2.7 2. Number of hydrogen bond donors: 1 3. Number of hydrogen bond acceptors: 2 4. Number of rotatable chemical bonds: 3 5. Number of tautomers: 2 6. Topological Molecular Polar Surface Area (TPSA): 38.3 7. Number of heavy atoms: 14 8. Surface charge: 0 9. Complexity: 190 10. Number of isotope atoms: 0 11. Determine the number of atomic stereocenters: 0 12. Uncertain number of atomic stereocenters: 0 13. Determine the number of stereocenters of chemical bonds: 0 14. Uncertain number of chemical bond stereocenters: 0 15. Number of covalent bond units: 1 |
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| More | 1. Characters: Undetermined 2. Density (g/mLat 25°C): not determined 3. Relative vapor density (g/mL, air=1): not determined 4. Melting point (°C): 133-137 5. Boiling point (ºC, atmospheric pressure): not determined 6. Boiling point (ºC, 754mmHg): not determined 7. Refractive index (n20/D): not determined 8. Flash point (ºC): not determined 9. Specific rotation (º): not determined 10. Autoignition point or ignition temperature (ºC): not determined 11. Vapor pressure (mmHg, 37ºC): not determined 12. Saturated vapor pressure (kPa, 114.4 ºC): not determined 13. Heat of combustion (KJ/mol): not determined 14. Critical temperature (ºC): not determined 15. Critical pressure (MPa): Undetermined 16. The logarithm of the oil-water (octanol/water) partition coefficient: not determined 17. Explosive upper limit (%, V/V): Undetermined 18. Lower explosion limit (%, V/V): not determined 19. Solubility: not determined |
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