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Basic Information
CAS No.: 7101-65-7
Name: morpholin-4-yl(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)methanone
Molecular Structure:
Molecular Structure of 7101-65-7 (morpholin-4-yl(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)methanone)
Formula: C19H22N2O2
Molecular Weight: 310.43
Density: 1.205g/cm3
Boiling Point: 553.3°Cat760mmHg
Flash Point: 288.4°C
Safety: A poison by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx.
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Chemistry

Molecule structure of 6H-Cyclohepta(b)quinoline, 7,8,9,10-tetrahydro-11-(morpholinocarbonyl)- (CAS NO.7101-65-7):

IUPAC Name: Morpholin-4-yl(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)methanone 
Molecular Weight: 310.39018 g/mol
Molecular Formula: C19H22N2O2 
Density: 1.205 g/cm3 
Boiling Point: 553.3 °C at 760 mmHg 
Flash Point: 288.4 °C
Index of Refraction: 1.621
Molar Refractivity: 90.59 cm3
Molar Volume: 257.4 cm3
Polarizability: 35.91×10-24 cm3
Surface Tension: 52.7 dyne/cm 
Enthalpy of Vaporization: 83.41 kJ/mol
Vapour Pressure: 2.76E-12 mmHg at 25 °C
XLogP3: 3
H-Bond Acceptor: 3
Rotatable Bond Count: 1
Exact Mass: 310.168128
MonoIsotopic Mass: 310.168128
Topological Polar Surface Area: 42.4
Heavy Atom Count: 23
Complexity: 422
Canonical SMILES: C1CCC2=C(C3=CC=CC=C3N=C2CC1)C(=O)N4CCOCC4
InChI: InChI=1S/C19H22N2O2/c22-19(21-10-12-23-13-11-21)18-14-6-2-1-3-8-16(14)20-17-9-5-4-7-15(17)18/h4-5,7,9H,1-3,6,8,10-13H2
InChIKey of 6H-Cyclohepta(b)quinoline, 7,8,9,10-tetrahydro-11-(morpholinocarbonyl)- (CAS NO.7101-65-7): MVDQLOSFAHIAQA-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

 6H-Cyclohepta(b)quinoline, 7,8,9,10-tetrahydro-11-(morpholinocarbonyl)- (CAS NO.7101-65-7) is also named as BRN 1143969 ; Ketone, morpholino(7,8,9,10-tetrahydro-11-(6H-cyclohepta(b)quinolinyl)) .