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CAS No.: | 32226-69-0 |
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Name: | Quinoline, 4-(2-(1-pyrrolidinyl)ethoxy)- |
Molecular Structure: | |
Formula: | C15H18 N2 O |
Molecular Weight: | 242.35 |
Synonyms: | 4-[2-(1-Pyrrolidinyl)ethoxy]quinoline;Quinpyrrolidine |
Density: | 1.137g/cm3 |
Boiling Point: | 374.9°Cat760mmHg |
Flash Point: | 180.6°C |
Safety: | Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. |
PSA: | 25.36000 |
LogP: | 2.64730 |
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Molecule structure of Quinpyrrolidine (CAS NO.32226-69-0) :
IUPAC Name: 4-(2-pyrrolidin-1-ylethoxy)quinoline
Molecular Weight: 242.31622 g/mol
Molecular Formula: C15H18N2O
Density: 1.137 g/cm3
Boiling Point: 374.9 °C at 760 mmHg
Flash Point: 180.6 °C
Index of Refraction: 1.606
Molar Refractivity: 73.52 cm3
Molar Volume: 213 cm3
Polarizability: 29.14×10-24 cm3
Surface Tension: 48.2 dyne/cm
Enthalpy of Vaporization: 62.24 kJ/mol
Vapour Pressure: 8.06E-06 mmHg at 25 °C
XLogP3: 1.4
H-Bond Acceptor: 3
Rotatable Bond Count: 4
Exact Mass: 242.141913
MonoIsotopic Mass: 242.141913
Topological Polar Surface Area: 25.4
Heavy Atom Count: 18
Complexity: 253
Canonical SMILES: C1CCN(C1)CCOC2=CC=NC3=CC=CC=C32
InChI: InChI=1S/C15H18N2O/c1-2-6-14-13(5-1)15(7-8-16-14)18-12-11-17-9-3-4-10-17/h1-2,5-8H,3-4,9-12H2
InChIKey of Quinpyrrolidine (CAS NO.32226-69-0) : ZSQDIESIQHUWMQ-UHFFFAOYSA-N
1. | orl-rat LD50:280 mg/kg | IJMRAQ Indian Journal of Medical Research. 60 (1972),604. | ||
2. | ipr-rat LD50:135 mg/kg | IJMRAQ Indian Journal of Medical Research. 60 (1972),604. | ||
3. | orl-mus LD50:315 mg/kg | IJMRAQ Indian Journal of Medical Research. 59 (1971),614. | ||
4. | ipr-mus LD50:123 mg/kg | IJMRAQ Indian Journal of Medical Research. 60 (1972),604. |
Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
Quinpyrrolidine (CAS NO.32226-69-0) is also called 4-(2,1-Pyrrolidinoethoxy)quinoline hydrochloride ; Quinoline, 4-(2-(1-pyrrolidinyl)ethoxy)- .