Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
DL-알파-(메틸라미노메틸)벤질알코올
HALOSTACHINE · 2-(methylamino)-1-phenylethan-1-ol · win5529-2 · N-METHYLPHENYLETHANOLAMINE · HalogetonGlomeratusAlkaloid · 2-METHYLAMINO-1-PHENYLETHANOL · 2-(methylamino)-1-phenyl-ethano · alpha-(methylamino)benzylalcohol
식별자 및 물리적 특성
| CAS No. | 6589-55-5 |
|---|---|
| 분자식 | C9H13NO |
| 평균 분자량 | 151.21 g/mol |
| 단동위원소 질량 | 151.09971404 g/mol |
| SMILES | CNCC(O)c1ccccc1 |
| InChIKey | ZCTYHONEGJTYQV-UHFFFAOYSA-N |
| PubChem CID | 913 |
| ChEBI | CHEBI:16913 |
| EC No. | 229-525-5 |
| DTXSID | DTXSID90988242 |
화학 및 물리적 성질
| XLogP | -0.3 |
|---|---|
| 극성 표면적 | 32.3 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 99 |
| 녹는점 | 74 - 76 °C74-76 °C (lit.) |
| Physical Description | Solid |
| 끓는 점 | 132-133 °C(Press: 15 Torr) |
| 밀도 | 1.02 g/cm3(Temp: 0 °C) |
| 저장 조건 | 2-8°C |
| 용해도 | 클로로포름(약간 용해됨), 메탄올(약간 용해됨) |
| 물리적 상태 | 얇은 바늘 모양의 결정체 |
| pKa(산도 계수) | 14.03±0.20(Predicted) |
| 색상 | 하얀색 |
| Merck | 14,4601 |
| BRN | 1072841 |
| 안정성 | 안정적인. 산, 산 염화물, 산 무수물, 산화제와 호환되지 않습니다. |
| InChI | InChI=1S/C9H13NO/c1-10-7-9(11)8-5-3-2-4-6-8/h2-6,9-11H,7H2,1H3 |
| InChIKey | ZCTYHONEGJTYQV-UHFFFAOYSA-N |
| SMILES | C(C1C=CC=CC=1)(O)CNC |
화학적 성질
white crystals
안전 및 규제
| GHS 분류 | WarningH302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (11.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (90.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (11.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (90.9%)Skin Irrit. 2 (11.4%)Eye Irrit. 2A (11.4%)STOT SE 3 (11.4%) |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | DO9625000 |
| 관세 코드 | 29221985 |
| 위험 문구(R) | 20/22 |
| 위험 표시 | Xn |
| 안전 문구(S) | 36 |
| 위험 등급 | Acute Tox. 4 InhalationAcute Tox. 4 Oral |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
α-(Methylaminomethyl)benzyl alcohol was used in the synthesis of 1,4-disubstituted-2,3,4,5-tetrahydro-1H-3-benzazepines. It was also used as internal standard during determination of pseudoephedrine and phenylpropanolamine urine concentrations by HPLC.
일반 설명
α-(Methylaminomethyl)benzyl alcohol is a potential substrate for studies involving phenylethanolamine-N-methyltransferase.