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3-(4-Fluorobenzyl)pyrrolidine

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Name

3-(4-Fluorobenzyl)pyrrolidine

EINECS N/A
CAS No. 193220-17-6 Density 1.071 g/cm3
PSA 12.03000 LogP 2.30650
Solubility N/A Melting Point N/A
Formula C11H14FN Boiling Point 261.4 °C at 760 mmHg
Molecular Weight 179.237 Flash Point 111.9 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 36-52
Molecular Structure Molecular Structure of 193220-17-6 (3-(4-FLUORO-BENZYL)-PYRROLIDINE) Hazard Symbols Xi
Synonyms

3-(4-FLUORO-BENZYL)-PYRROLIDINE

 

3-(4-Fluorobenzyl)pyrrolidine 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

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