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Thonzylaminhydrochlorid
NH 188 · Anahist · Resistab · Novohetramin · Thonzylamine HCl · Thonzylamine HCl 98% · Thonzilamine hydrochloride · Neohetramine hydrochloride
Identifikatoren & physikalische Daten
| CAS No. | 63-56-9 |
|---|---|
| Summenformel | C16H22N4O.ClH |
| Durchschnittliche Molmasse | 322,83 g/mol |
| Monoisotopische Masse | 322,1560391 g/mol |
| SMILES | COc1ccc(CN(CCN(C)C)c2ncccn2)cc1.Cl |
| InChIKey | HRYJPHOTGFERGT-UHFFFAOYSA-N |
| PubChem CID | 6136 |
| ChEMBL | CHEMBL1529802 |
| ChEBI | CHEBI:32219 |
| EC No. | 200-561-3 |
| DTXSID | DTXSID8026147 |
| Lokaler Name | Thonzylaminhydrochlorid |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 41,5 |
|---|---|
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 22 |
| Formalladung | 0 |
| Komplexität | 273 |
| Löslichkeit | Very soluble (NTP, 1992) |
| Schmelzpunkt | 343 to 349 °F (NTP, 1992)173-176° |
| Physical Description | Thonzylamine hydrochloride is a white crystalline powder with a faint odor. pH: 5.1-5.7 (2 % aqueous solution). (NTP, 1992) |
| Collision Cross Section | 167.3 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| Siedepunkt | bp2.2 185-187° |
| Dichte | 1.2562 (rough estimate) |
| Brechungsindex | 1.5800 (estimate) |
| Stabilität | Stable. Incompatible with strong oxidizing agents. |
| EPA chemische Informationen | Thonzylamine hydrochloride (63-56-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P280, P301+P316, P302+P352, P317, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 1,2-Ethanediamine, N-[(4-methoxyphenyl)methyl]-N',N'-dimethyl-N-2-pyrimidinyl-, monohydrochloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Weitere Sicherheitsinformationen | IMAP assessments - 1,2-Ethanediamine, N-[(4-methoxyphenyl)methyl]-N',N'-dimethyl-N-2-pyrimidinyl-, monohydrochloride: Environment tier I assessment |
| Brandgefahren | Flash point data for this chemical are not available. It is probably combustible. (NTP, 1992) |
| Gesundheitsgefahren | SYMPTOMS: Symptoms of exposure to this compound may include drowsiness, lethargy, fatigue, hypnosis, coma, vertigo, ataxia, tinnitus, blurred vision, tremors, anxiety, insomnia, excitement, hallucinations, delirium, convulsions, dry mouth, anorexia, nausea, vomiting, abdominal distress, constipation, diarrhea, central nervous system depression, gastrointestinal reactions, respiratory arrest and circulatory collapse. (NTP, 1992) |
| Reaktive Gruppe | Amines, Phosphines, and Pyridines |
| Reactivity Profile | THONZYLAMINE HYDROCHLORIDE behaves as a weak organic acid. Materials in this group are generally soluble in water. The resulting solutions contain moderate concentrations of hydrogen ions and have pH's of less than 7.0. They react as acids to neutralize bases. These neutralizations generate heat, but less or far less than is generated by neutralization of inorganic acids, inorganic oxoacids, and carboxylic acid. They usually do not react as either oxidizing agents or reducing agents but such behavior is not impossible. |
| Air and Water Reactions | Water soluble. |
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
Anwendungen & Verwendung
Verwenden
Medicine (antihistamine).