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39819-27-7

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Basic Information
CAS No.: 39819-27-7
Name: 2-((4-Phenylpiperazine-1-yl)methyl)quinoline
Molecular Structure:
Molecular Structure of 39819-27-7 (2-((4-Phenylpiperazine-1-yl)methyl)quinoline)
Formula: C20H21 N3
Molecular Weight: 303.40
Synonyms: 2-(4-Phenyl-1-piperazinyl)methylquinoline
Density: 1.174g/cm3
Boiling Point: 455.9°C at 760 mmHg
Flash Point: 229.5°C
PSA: 19.37000
LogP: 3.55990
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Chemistry

Molecular Structure of 2-((4-Phenylpiperazine-1-yl)methyl)quinoline (CAS No.39819-27-7):
 
Molecular Formula: C20H21N3 
Molecular Weight: 303.4008
CAS No: 39819-27-7
Systematic Name: 2-[(4-Phenylpiperazin-1-yl)methyl]quinoline
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: 19.37 Å2
Index of Refraction: 1.657
Molar Refractivity: 95.12 cm3
Molar Volume: 258.4 cm3
Surface Tension: 54.2 dyne/cm
Density: 1.174 g/cm3
Flash Point: 229.5 °C
Enthalpy of Vaporization: 71.57 kJ/mol
Boiling Point: 455.9 °C at 760 mmHg
Vapour Pressure: 1.7E-08 mmHg at 25°C
InChI: InChI=1/C20H21N3/c1-2-7-19(8-3-1)23-14-12-22(13-15-23)16-18-11-10-17-6-4-5-9-20(17)21-18/h1-11H,12-16H2
InChIKey: AYYGDHAILGUSIQ-UHFFFAOYAW
Std. InChI: InChI=1S/C20H21N3/c1-2-7-19(8-3-1)23-14-12-22(13-15-23)16-18-11-10-17-6-4-5-9-20(17)21-18/h1-11H,12-16H2
Std. InChIKey: AYYGDHAILGUSIQ-UHFFFAOYSA-N

Specification

  2-((4-Phenylpiperazine-1-yl)methyl)quinoline (CAS No.39819-27-7), its synonym is Quinoline, 2-[(4-phenyl-1-piperazinyl)methyl]- .