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| CAS No.: | 5633-16-9 |
|---|---|
| Name: | Leiophrrole |
| Molecular Structure: | |
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| Formula: | C23H28 N2 O |
| Molecular Weight: | 348.488 |
| Synonyms: | Pyrrole,1-[o-[2-(diethylamino)ethoxy]phenyl]-2-methyl-5-phenyl- (6CI,7CI,8CI); 1-[2-(2-Dimethylaminoethoxy)-phenyl]-2-methyl-5-phenylpyrrole;DV 714; Leiopyrrole |
| Density: | 1.01g/cm3 |
| Boiling Point: | 497.9°Cat760mmHg |
| Flash Point: | 254.9°C |
| Safety: | Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx. |
| PSA: | 17.40000 |
| LogP: | 5.17330 |
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Chemistry
Molecule structure of Leiopyrrole (CAS NO.5633-16-9) :
IUPAC Name: N,N-diethyl-2-[2-(2-methyl-5-phenylpyrrol-1-yl)phenoxy]ethanamine
Molecular Weight: 348.48122 g/mol
Molecular Formula: C23H28N2O
Density: 1.01 g/cm3
Boiling Point: 497.9 °C at 760 mmHg
Flash Point: 254.9 °C
Index of Refraction: 1.552
Molar Refractivity: 109.64 cm3
Molar Volume: 342.6 cm3
Polarizability: 43.46×10-24 cm3
Surface Tension: 36.6 dyne/cm
Enthalpy of Vaporization: 76.6 kJ/mol
Vapour Pressure: 4.76E-10 mmHg at 25 °C
XLogP3-AA: 5.1
H-Bond Acceptor: 2
Rotatable Bond Count: 8
Exact Mass: 348.220164
MonoIsotopic Mass: 348.220164
Topological Polar Surface Area: 17.4
Heavy Atom Count: 26
Complexity: 392
Canonical SMILES: CCN(CC)CCOC1=CC=CC=C1N2C(=CC=C2C3=CC=CC=C3)C
InChI: InChI=1S/C23H28N2O/c1-4-24(5-2)17-18-26-23-14-10-9-13-22(23)25-19(3)15-16-21(25)20-11-7-6-8-12-20/h6-16H,4-5,17-18H2,1-3H3
InChIKey of Leiopyrrole (CAS NO.5633-16-9) : DQIUUHJEYNMMLD-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | orl-rat LD50:700 mg/kg AAREAV 20,371,63 | |
| 2. | ipr-rat LD50:180 mg/kg AAREAV 20,371,63 | |
| 3. | orl-mus LD50:475 mg/kg AAREAV 20,371,63 |
Safety Profile
Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx.
Specification
Leiopyrrole (CAS NO.5633-16-9) is also called 1-(o-(2-(Diethylamino)ethoxy)phenyl)-2-methyl-5-phenylpyrrole ; 4-20-00-03515 (Beilstein Handbook Reference) ; BRN 0300657 ; DV 714 ; Ethanamine, N,N-diethyl-2-(2-(2-methyl-5-phenyl-1H-pyrrol-1-yl)phenoxy)- ; Leiopirrol ; Leioplegil ; Leiopyrrolum ; Leiopyrrolum [INN-Latin] ; UNII-S1URO6678T ; Pyrrole, 1-(o-(2-(diethylamino)ethoxy)phenyl)-2-methyl-5-phenyl- .