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| CAS No.: | 144-14-9 |
|---|---|
| Name: | Anileridine |
| Molecular Structure: | |
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| Formula: | C22H28 N2 O2 |
| Molecular Weight: | 352.477 |
| Synonyms: | Anileridine(6CI); Isonipecotic acid, 1-(p-aminophenethyl)-4-phenyl-, ethyl ester(7CI,8CI); 1-(p-Aminophenethyl)-4-phenylpiperidine-4-carboxylic acid ethylester; Adopol; Alidine; Apidol; Ethyl1-(4-aminophenethyl)-4-phenylisonipecotate; Ethyl1-(p-aminophenethyl)-4-phenylisonipecotate; Leritin; Leritine; Nipecotan |
| Density: | 1.119g/cm3 |
| Melting Point: | 83°C |
| Boiling Point: | 491.5°C at 760 mmHg |
| Flash Point: | 251.1°C |
| Safety: | Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. |
| PSA: | 55.56000 |
| LogP: | 3.92730 |
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Chemistry
Molecule structure of N-beta-(p-Aminophenyl)ethylnormeperidine (CAS NO.144-14-9) :
IUPAC Name: ethyl 1-[2-(4-aminophenyl)ethyl]-4-phenylpiperidine-4-carboxylate
Molecular Weight: 352.46992 g/mol
Molecular Formula: C22H28N2O2
Density: 1.119 g/cm3
Melting Point: 83 deg C
Boiling Point: 491.5 °C at 760 mmHg
Flash Point: 251.1 °C
Index of Refraction: 1.578
Molar Refractivity: 104.6 cm3
Molar Volume: 314.8 cm3
Polarizability: 41.46*10-24 cm3
Surface Tension: 47.1 dyne/cm
Enthalpy of Vaporization: 75.83 kJ/mol
Vapour Pressure: 8.31E-10 mmHg at 25 °C
log P (octanol-water): 4.090
Atmospheric OH Rate Constant: 2.39E-10 cm3/molecule-sec
XLogP3: 3.7
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 7
Exact Mass: 352.215078
MonoIsotopic Mass: 352.215078
Topological Polar Surface Area: 55.6
Heavy Atom Count: 26
Complexity: 431
Canonical SMILES: CCOC(=O)C1(CCN(CC1)CCC2=CC=C(C=C2)N)C3=CC=CC=C3
InChI: InChI=1S/C22H28N2O2/c1-2-26-21(25)22(19-6-4-3-5-7-19)13-16-24(17-14-22)15-12-18-8-10-20(23)11-9-18/h3-11H,2,12-17,23H2,1H3
InChIKey of N-beta-(p-Aminophenyl)ethylnormeperidine (CAS NO.144-14-9) : LKYQLAWMNBFNJT-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | orl-rat LD50:175 mg/kg | 27ZIAQ Drug Dosages in Laboratory Animals-A Handbook C.D. Barnes andL.G. Eltherington,Berkeley, CA.: Univ. of California Press,1965. | ||
| 2. | ipr-rat LD50:45 mg/kg | 27ZIAQ Drug Dosages in Laboratory Animals-A Handbook C.D. Barnes andL.G. Eltherington,Berkeley, CA.: Univ. of California Press,1973,44. | ||
| 3. | scu-rat LD50:163 mg/kg | 27ZIAQ Drug Dosages in Laboratory Animals-A Handbook C.D. Barnes andL.G. Eltherington,Berkeley, CA.: Univ. of California Press,1965. | ||
| 4. | orl-mus LD50:128 mg/kg | 27ZIAQ Drug Dosages in Laboratory Animals-A Handbook C.D. Barnes andL.G. Eltherington,Berkeley, CA.: Univ. of California Press,1973,44. | ||
| 5. | ipr-mus LD50:53 mg/kg | 27ZIAQ Drug Dosages in Laboratory Animals-A Handbook C.D. Barnes andL.G. Eltherington,Berkeley, CA.: Univ. of California Press,1965. | ||
| 6. | scu-mus LD50:100 mg/kg | 27ZIAQ Drug Dosages in Laboratory Animals-A Handbook C.D. Barnes andL.G. Eltherington,Berkeley, CA.: Univ. of California Press,1973,44. | ||
| 7. | ivn-mus LD50:25 mg/kg | 27ZIAQ Drug Dosages in Laboratory Animals-A Handbook C.D. Barnes andL.G. Eltherington,Berkeley, CA.: Univ. of California Press,1973,44. |
Safety Profile
Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
RIDADR: 1544
HazardClass: 6.1(b)
PackingGroup: III
Specification
N-beta-(p-Aminophenyl)ethylnormeperidine (CAS NO.144-14-9) is also called 1-(2-(4-Aminophenyl)ethyl)-4-phenyl-4-piperidinecarboxylic acid ethyl ester ; 1-(p-Aminophenethyl)-4-phenylisonipecotic acid ethyl ester ; 4-Piperidinecarboxylic acid, 1-(2-(4-aminophenyl)ethyl)-4-phenyl-, ethyl ester ; Adopol ; Alidine ; Anileridina [INN-Spanish] ; Anileridine ; Anileridinum [INN-Latin] ; Ethyl 1-(2-(4-aminophenyl)ethyl)-4-phenyl-4-piperidinecarboxylate ; Ethyl 1-(4-aminophenethyl)-4-phenylisonipecotate ; Ethyl 1-(p-aminophenethyl)-4-phenylisonipecotate ; HSDB 3288 ; Isonipecotic acid, 1-(p-aminophenethyl)-4-phenyl-, ethyl ester ; Leritin ; Leritine ; N-(beta-(p-Aminophenyl)ethyl)-4-phenyl-4-carbethoxypiperidine ; Nipecotan ; UNII-71Q1A3O279 .