Molecule structure of Quinoline, 2-(2-chloroethylamino)-, hydrochloride (CAS NO.63680-58-0):
IUPAC Name of Quinoline, 2-(2-chloroethylamino)-, hydrochloride (CAS NO.63680-58-0): N-(2-Chloroethyl)quinolin-2-amine hydrochloride
Molecular Weight: 243.13238 g/mol
Molecular Formula: C11H12Cl2N2
Boiling Point: 371.5 °C at 760 mmHg
Flash Point: 178.5 °C
Enthalpy of Vaporization: 61.85 kJ/mol
Vapour Pressure: 1.03E-05 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 2
Rotatable Bond Count: 3
Tautomer Count: 2
Exact Mass: 242.037754
MonoIsotopic Mass: 242.037754
Topological Polar Surface Area: 24.9
Heavy Atom Count: 15
Complexity: 175
Canonical SMILES: C1=CC=C2C(=C1)C=CC(=N2)NCCCl.Cl
InChI: InChI=1S/C11H11ClN2.ClH/c12-7-8-13-11-6-5-9-3-1-2-4-10(9)14-11;/h1-6H,7-8H2,(H,13,14);1H
InChIKey: GKIMIRPIQGALSL-UHFFFAOYSA-N
Synonyms of Quinoline, 2-(2-chloroethylamino)-, hydrochloride (CAS NO.63680-58-0): TL 1120
1. | ihl-mus LCLo:640 mg/m3/10M | NDRC** National Defense Research Committee, Office of Scientific Research and Development, Progress Report No.9-4-1-19 ,1943. |
A poison by inhalation. When heated to decomposition it emits toxic vapors of NOx, HCl, and Cl−.
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