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Basic Information
CAS No.: 7101-57-7
Name: N,N-diethyl-5,6,7,8-tetrahydroacridine-9-carboxamide
Molecular Structure:
Molecular Structure of 7101-57-7 (N,N-diethyl-5,6,7,8-tetrahydroacridine-9-carboxamide)
Formula: C18H22 N2 O
Molecular Weight: 282.385
Synonyms: N,N-diethyl-5,6,7,8-tetrahydroacridine-9-carboxamide
Density: 1.12g/cm3
Boiling Point: 496.8°C at 760 mmHg
Flash Point: 254.2°C
Safety: A poison by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx.
PSA: 33.20000
LogP: 3.59560
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Chemistry

The Molecular Structure of  Acridine-9-carboxamide, 1,2,3,4-tetrahydro-N,N-diethyl- (CAS NO.7101-57-7):
Molecular Formula:  C18H22N2O
Molecular Weight: 282.380080 g/mol
Classification: Drug / Therapeutic Agent 
IUPAC: N,N-diethyl-1,2,3,4-tetrahydroacridine-9-carboxamide
Nominal Mass: 282 Da
Average Mass: 282.3801 Da
Monoisotopic Mass: 282.173213 Da 
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 2.91
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 5.5): 88.55
ACD/BCF (pH 7.4): 121.63
ACD/KOC (pH 5.5): 786.36
ACD/KOC (pH 7.4): 1080.15
Polar Surface Area: 33.2Å2
Index of Refraction: 1.603
Molar Refractivity: 86.62 cm3
Molar Volume: 251.9 cm3
Surface Tension: 47.6 dyne/cm
Density: 1.12 g/cm3
Flash Point: 254.2 °C
Enthalpy of Vaporization: 76.46 kJ/mol
Boiling Point: 496.8 °C at 760 mmHg
Vapour Pressure: 5.24E-10 mmHg at 25°C 
InChI: InChI=1/C18H22N2O/c1-3-20(4-2)18(21)17-13-9-5-7-11-15(13)19-16-12-8-6-10-14(16)17/h5,7,9,11H,3-4,6,8,10,12H2,1-2H3
Smiles: c1(c2c(nc3c1CCCC3)cccc2)C(N(CC)CC)=O

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

 Acridine-9-carboxamide, 1,2,3,4-tetrahydro-N,N-diethyl- (CAS NO.7101-57-7) is also called as 5-22-03-00350 (Beilstein Handbook Reference) ; Acridine-9-carboxamide, N,N-diethyl-1,2,3,4-tetrahydro- ; BRN 0238365 ; Ketone, diethylamino(1,2,3,4-tetrahydro-9-acridinyl) .