Thonzylamine Hydrochloride
NH 188 · Anahist · Resistab · Novohetramin · Thonzylamine HCl · Thonzylamine HCl 98% · Thonzilamine hydrochloride · Neohetramine hydrochloride
식별자 및 물리적 특성
| CAS No. | 63-56-9 |
|---|---|
| 분자식 | C16H22N4O.ClH |
| 평균 분자량 | 322.83 g/mol |
| 단동위원소 질량 | 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 |
화학 및 물리적 성질
| 극성 표면적 | 41.5 |
|---|---|
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 7 |
| 무거운 원자 수 | 22 |
| 형식 전하 | 0 |
| 복잡도 | 273 |
| 용해도 | Very soluble (NTP, 1992) |
| 녹는점 | 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] |
| 끓는 점 | bp2.2 185-187° |
| 밀도 | 1.2562 (rough estimate) |
| 굴절률 | 1.5800 (estimate) |
| 안정성 | 안정적인. 강한 산화제와 호환되지 않습니다. |
| EPA | Thonzylamine hydrochloride (63-56-9) |
화학적 성질
White, crystalline powder; faint odor. Very soluble in water; freely soluble in alcohol and chloroform; practically insoluble in ether and benzene; pH 5.0–6.0 (2% solution).
안전 및 규제
| GHS 분류 | 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. |
|---|---|
| 규제 정보 | 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. |
| 기타 안전 정보 | IMAP assessments - 1,2-Ethanediamine, N-[(4-methoxyphenyl)methyl]-N',N'-dimethyl-N-2-pyrimidinyl-, monohydrochloride: Environment tier I assessment |
| 화재 위험 | Flash point data for this chemical are not available. It is probably combustible. (NTP, 1992) |
| 건강 유해성 | 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) |
| 반응성 그룹 | 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%) |
| 소화 | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
용도
용도
Medicine (antihistamine).
일반 설명
Thonzylamine hydrochloride,2-[[2-(dimethylamino)-ethyl](p-methoxybenzyl)amino]pyrimidine hydrochloride, is a white crystallinepowder soluble in water (1:1), in alcohol (1:6), and in chloroform(1:4). A 2% aqueous solution has a pH of 5.5. It is similar in activity to tripelennamine but is claimed to be lesstoxic. The usual dose is 50 mg taken up to 4 times daily. Itis available in certain combination products.