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7101-58-8

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Basic Information
CAS No.: 7101-58-8
Name: piperidin-1-yl(1,2,3,4-tetrahydroacridin-9-yl)methanone
Molecular Structure:
Molecular Structure of 7101-58-8 (piperidin-1-yl(1,2,3,4-tetrahydroacridin-9-yl)methanone)
Formula: C19H22N2O
Molecular Weight: 294.43
Density: 1.183g/cm3
Boiling Point: 524.9°Cat760mmHg
Flash Point: 271.3°C
Safety: A poison by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx.
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  • 4-(1-PIPERIDYL)CARBONYL-2,3-TETRA-METHYLENEQUINOLINE

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    4-(1-PIPERIDYL)CARBONYL-2,3-TETRA-METHYLENEQUINOLINE

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  • 4-(1-PIPERIDYL)CARBONYL-2,3-TETRA-METHYLENEQUINOLINE

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Chemistry

Molecule structure of 4-(1-Piperidyl)carbonyl-2,3-tetra-methylenequinoline (CAS NO.7101-58-8) :

IUPAC Name: piperidin-1-yl(1,2,3,4-tetrahydroacridin-9-yl)methanone 
Molecular Weight: 294.39078 g/mol
Molecular Formula: C19H22N2O 
Density: 1.183 g/cm3 
Boiling Point: 524.9 °C at 760 mmHg 
Flash Point: 271.3 °C
Index of Refraction: 1.634
Molar Refractivity: 88.99 cm3
Molar Volume: 248.7 cm3
Polarizability: 35.27*10-24 cm3
Surface Tension: 53.8 dyne/cm 
Enthalpy of Vaporization: 79.89 kJ/mol
Vapour Pressure: 4.12E-11 mmHg at 25 °C
XLogP3: 3.7
H-Bond Acceptor: 2
Rotatable Bond Count: 1
Exact Mass: 294.173213
MonoIsotopic Mass: 294.173213
Topological Polar Surface Area: 33.2
Heavy Atom Count: 22
Complexity: 404
Canonical SMILES: C1CCN(CC1)C(=O)C2=C3CCCCC3=NC4=CC=CC=C42
InChI: InChI=1S/C19H22N2O/c22-19(21-12-6-1-7-13-21)18-14-8-2-4-10-16(14)20-17-11-5-3-9-15(17)18/h2,4,8,10H,1,3,5-7,9,11-13H2
InChIKey of 4-(1-Piperidyl)carbonyl-2,3-tetra-methylenequinoline (CAS NO.7101-58-8) : QVOXSBQCBQISDL-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

ipr-mus LD50:250 mg/kg

     JMCMAR    Journal of Medicinal Chemistry. 9 (1966),483.

Safety Profile

A poison by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx.

Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

Specification

 4-(1-Piperidyl)carbonyl-2,3-tetra-methylenequinoline (CAS NO.7101-58-8) is also called 5-22-03-00350 (Beilstein Handbook Reference) ; Acridine, 1,2,3,4-tetrahydro-9-(piperidinocarbonyl)- ; BRN 0419592 ; Ketone, piperidino(1,2,3,4-tetrahydro-9-acridinyl) .