3-(4-Fluorobenzyl)pyrrolidine supplier

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

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

Product Name

3-(4-FLUORO-BENZYL)-PYRROLIDINE

3-(4-Fluorobenzyl)pyrrolidine Specification

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