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| CAS No.: | 193220-17-6 |
|---|---|
| Name: | 3-(4-FLUORO-BENZYL)-PYRROLIDINE |
| Molecular Structure: | |
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| Formula: | C11H14FN |
| Molecular Weight: | 179.237 |
| Synonyms: | 3-(4-FLUORO-BENZYL)-PYRROLIDINE |
| Density: | 1.071 g/cm3 |
| Boiling Point: | 261.4 °C at 760 mmHg |
| Flash Point: | 111.9 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | 36-52 |
| Safety: | 26 |
| PSA: | 12.03000 |
| LogP: | 2.30650 |
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- Total:23 Page 1 of 1 1
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Specification
The CAS registry number of Pyrrolidine,3-[(4-fluorophenyl)methyl]- is 193220-17-6. It belongs to the product category of Chiral Chemicals. This chemical's molecular formula is C11H14FN and molecular weight is 179.23. What's more, its systematic name and its IUPAC name are the same which is called 3-(4-Fluorobenzyl)pyrrolidine.
Physical properties about Pyrrolidine,3-[(4-fluorophenyl)methyl]-: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 3.24 Å2; (7)Index of Refraction: 1.521; (8)Molar Refractivity: 50.95 cm3; (9)Molar Volume: 167.2 cm3; (10)Surface Tension: 36.5 dyne/cm; (11)Density: 1.071 g/cm3; (12)Flash Point: 111.9 °C; (13)Enthalpy of Vaporization: 49.91 kJ/mol; (14)Boiling Point: 261.4 °C at 760 mmHg; (15)Vapour Pressure: 0.0116 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc(cc1)CC2CCNC2
(2) InChI: InChI=1/C11H14FN/c12-11-3-1-9(2-4-11)7-10-5-6-13-8-10/h1-4,10,13H,5-8H2
(3) InChIKey: DOAKNLUWVTUZKA-UHFFFAOYAX