Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
메톡시페닐에틸아민
메톡시페닐에틸아민 · 4-메톡시펜에틸아민 · 2-(4-Methoxyphenyl)ethanamine · Methyl Tyramine · o-methyltyramine · P-METHOXYPHENYLETHYLAMINE · 2-(4-METHOXYPHENYL)ETHYLAMINE · 4-MPEA
식별자 및 물리적 특성
| CAS No. | 2045-79-6 |
|---|---|
| 분자식 | C9H13NO |
| 평균 분자량 | 151.21 g/mol |
| 단동위원소 질량 | 151.09971404 g/mol |
| SMILES | COc1ccc(CCN)cc1 |
| InChIKey | LTPVSOCPYWDIFU-UHFFFAOYSA-N |
| PubChem CID | 4657 |
| ChEMBL | CHEMBL101036 |
| ChEBI | CHEBI:266039 |
| EC No. | 200-245-5 |
| DTXSID | DTXSID6058764 |
| 현지명 | 메톡시페닐에틸아민 |
화학 및 물리적 성질
| XLogP | 1.6 |
|---|---|
| 극성 표면적 | 35.3 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 97 |
| Kovats Retention Index | 1318.81335.7 |
| 녹는점 | 249-251°C |
| 끓는 점 | 138-140 °C20 mm Hg(lit.) |
| 밀도 | 1.031 g/mL at 20 °C(lit.) |
| 굴절률 | n20/D 1.538(lit.) |
| 인화점 | >230 °F |
| 저장 조건 | 2-8°C |
| 용해도 | 클로로포름(소량으로 용해), 메탄올(약간 용해됨) |
| pKa(산도 계수) | 9.96±0.10(Predicted) |
| 물리적 상태 | 액체 |
| 색상 | 연노랑 |
| BRN | 508967 |
| InChI | InChI=1S/C9H13NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7,10H2,1H3 |
| InChIKey | LTPVSOCPYWDIFU-UHFFFAOYSA-N |
| SMILES | C1(CCN)=CC=C(OC)C=C1 |
| NIST | Benzeneethanamine, 4-methoxy-(55-81-2) |
| EPA | Benzeneethanamine, 4-methoxy- (55-81-2) |
화학적 성질
clear colorless to slightly yellow liquid
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 0.9% (1 of 106) of reports.DangerH314 (99.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (38.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 106 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 106 reports by companies.There are 3 notifications provided by 105 of 106 reports by companies with hazard statement code(s).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. |
|---|---|
| 규제 정보 | Status: Active Update: 30-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/273402-(4-Methoxyphenyl)-ethylamine: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Corr. 1C (99.1%)Eye Dam. 1 (38.7%)Skin Corr. 1B (100%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | SH7875000 |
| 운송 번호(UN) | UN 2735 8/PG 3 |
| 관세 코드 | 29222900 |
| 위험 문구(R) | 34 |
| 위험 표시 | C,T |
| 안전 문구(S) | 26-36/37/39-45-27 |
| 포장분류 | II |
| 위험 등급 | 8Skin Corr. 1B |
| F 고인화성물질 | 10-23 |
| 위험 참고 사항 | Toxic/Corrosive |
| 저장 분류 | 8A - Combustible corrosive hazardous materials |
용도
용도
4-Methoxyphenethylamine an inhibitor of the deamination of tyramine and tryptamine. It is intermediates of ritodrine. ritodrine is an adrenergic β2 receptor agonists used to prevent premature birth.
일반 설명
4-Methoxyphenethylamine inhibits the monoamine oxidase-catalyzed deamination of both tyramine and tryptamine.