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68548-75-4

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Basic Information
CAS No.: 68548-75-4
Name: 2-(3-PHENOXYPHENYL)-PYRROLIDINE
Molecular Structure:
Molecular Structure of 68548-75-4 (2-(3-PHENOXYPHENYL)-PYRROLIDINE)
Formula: C16H17NO
Molecular Weight: 239.317
Synonyms: 2-(3-Phenoxyphenyl)pyrrolidine;
Density: 1.09 g/cm3
Boiling Point: 360.8 °C at 760 mmHg
Flash Point: 149.3 °C
PSA: 21.26000
LogP: 4.23220
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Specification

The Pyrrolidine, 2-(3-phenoxyphenyl)- has CAS registry number 68548-75-4. This chemical's molecular formula is C16H17NO and molecular weight is 239.31. What's more, its systematic name is 2-(3-Phenoxyphenyl)pyrrolidine.

Physical properties about Pyrrolidine, 2-(3-phenoxyphenyl)- are: (1)ACD/LogP: 3.77; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 12.47 Å2; (7)Index of Refraction: 1.576; (8)Molar Refractivity: 72.68 cm3; (9)Molar Volume: 219.5 cm3; (10)Polarizability: 28.81×10-24 cm3; (11)Surface Tension: 41.5 dyne/cm; (12)Density: 1.09 g/cm3; (13)Flash Point: 149.3 °C; (14)Enthalpy of Vaporization: 60.66 kJ/mol; (15)Boiling Point: 360.8 °C at 760 mmHg; (16)Vapour Pressure: 2.16E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O(c1cccc(c1)C2NCCC2)c3ccccc3
(2) InChI: InChI=1/C16H17NO/c1-2-7-14(8-3-1)18-15-9-4-6-13(12-15)16-10-5-11-17-16/h1-4,6-9,12,16-17H,5,10-11H2
(3) InChIKey: XTMLHQBXJIIWOX-UHFFFAOYAF