Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
3-디메틸아미노-1-페닐-프로판-1-올
3-디메틸아미노-1-페닐-프로판-1-올 · USAF EL-80 · Atomoxetine Impurity 20 · 3-(Dimethylamino)-1-phenyl-1-propanol · 1-Phenyl-3-(dimethylamino)-1-propanol · 1-Propanol, 3-dimethylamino-1-phenyl- · α-[2-(Dimethylamino)ethyl]benzenemethanol · N,N-Dimethyl-3-hydroxy-3-phenylpropylamine
식별자 및 물리적 특성
| CAS No. | 36296-95-4 |
|---|---|
| 분자식 | C11H17NO |
| 평균 분자량 | 179.26 g/mol |
| 단동위원소 질량 | 179.13101416 g/mol |
| SMILES | CN(C)CCC(O)c1ccccc1 |
| InChIKey | VELGOYBSKBKQFF-UHFFFAOYSA-N |
| PubChem CID | 110665 |
| ChEMBL | CHEMBL120990 |
| EC No. | 611-283-0 |
| DTXSID | DTXSID30970883 |
| 현지명 | 3-디메틸아미노-1-페닐-프로판-1-올 |
화학 및 물리적 성질
| XLogP | 1.5 |
|---|---|
| 극성 표면적 | 23.5 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 130 |
| 용해도 | 13.3 [ug/mL] (The mean of the results at pH 7.4) |
| 녹는점 | 47-48℃ |
| 끓는 점 | 128-130℃ (3 Torr) |
| 밀도 | 1.011±0.06 g/cm3(Predicted) |
| 저장 조건 | 2-8°C |
| pKa(산도 계수) | 14.21±0.20(Predicted) |
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (100%) |
| 관세 코드 | 2921490090 |
용도
용도
3-Dimethylamino-1-phenyl-1-propanol is a useful synthetic intermediate. It can be used to prepare phenoxyphenyl diamine-based histamine H3 antagonists with serotonin reuptake inhibitor activities. It is also used to synthesize indolyl aryl propanamines as dual acting norepinephrine and serotonin reuptake inhibitors.