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(+-)-Cotinine
rac Cotinine · Cotinine,racemic mixture · 2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)-
Identifikatoren & physikalische Daten
| CAS No. | 15569-85-4 |
|---|---|
| Summenformel | C10H12N2O |
| Durchschnittliche Molmasse | 176,21 g/mol |
| Monoisotopische Masse | 176,09496301 g/mol |
| SMILES | CN1C(=O)CCC1c1cccnc1 |
| InChIKey | UIKROCXWUNQSPJ-UHFFFAOYSA-N |
| PubChem CID | 408 |
| ChEMBL | CHEMBL664 |
| ChEBI | CHEBI:182609 |
| EC No. | 804-120-1 |
| DTXSID | DTXSID6047577 |
Chemische & physikalische Eigenschaften
| XLogP | -0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 33,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 205 |
| LogP (Verteilungskoeffizient) | 0.07 |
| Schmelzpunkt | 41 °C48-50°C |
| Physical Description | Solid |
| Siedepunkt | 160-180 °C(Press: 0.03-0.04 Torr) |
| Dichte | 1.146±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Hygroscopic, -20°C Freezer, Under Inert Atmosphere |
| Löslichkeit | Chloroform (Slightly) , Dichloromethane (Slightly), Ethanol (Slightly), Methanol |
| pKa (Säurekonstante) | 4.72±0.12(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Off-White to Light Beige |
| Stabilität | Temperature Sensitive and Hygroscopic |
| CAS Datenbank | 15569-85-4 |
| EPA chemische Informationen | 1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone (15569-85-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Gesundheitliche Auswirkungen | Similarly to nicotine, cotinine binds to, activates, and desensitizes neuronal nicotinic acetylcholine receptors, though at much lower potency in comparison. It has demonstrated nootropic and antipsychotic-like effects in animal models. Direct administration of high levels of cotinine resulted in no significant physiologic, subjective, or performance effects. (Wikipedia) |
| Expositionspfade | Inhalation |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
Anwendungen & Verwendung
Verwenden
A major metabolite of Nicotine in humans. Carcinogen.