Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
옥토파민
옥토파민 · p-Octopamine · Norden · Octapamine · OctopaMine-d3 · 1-(4-HYDROXYPHENYL)-2-AMINOETHANOL · ND-50 · ND 50
식별자 및 물리적 특성
| CAS No. | 104-14-3 |
|---|---|
| 분자식 | C8H11NO2 |
| 평균 분자량 | 153.18 g/mol |
| 단동위원소 질량 | 153.07897859 g/mol |
| SMILES | NCC(O)c1ccc(O)cc1 |
| InChIKey | QHGUCRYDKWKLMG-UHFFFAOYSA-N |
| PubChem CID | 4581 |
| ChEMBL | CHEMBL53929 |
| ChEBI | CHEBI:17134 |
| EC No. | 203-179-5 |
| DTXSID | DTXSID7043873 |
| 현지명 | 옥토파민 |
화학 및 물리적 성질
| XLogP | -1.1 |
|---|---|
| 극성 표면적 | 66.5 |
| 수소 결합 공여자 수 | 3 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 111 |
| Collision Cross Section | 124.3 Ų [M+H-H2O]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| 녹는점 | 157-158 °C |
| 끓는 점 | 276.1°C (rough estimate) |
| 밀도 | 1.1577 (rough estimate) |
| 굴절률 | 1.5010 (estimate) |
| 용해도 | Water (Easy) |
| pKa(산도 계수) | pKa 8.88 (Uncertain)9.53 (Uncertain) |
| 화장품 원료 기능 | 피부 컨디셔닝 |
안전 및 규제
| GHS 분류 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]P264, P270, P280, P301+P317, P302+P352, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 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 (100%) |
| 운송 번호(UN) | 3249 |
| 독성 | LD50 oral in rat: 1240mg/kg |
| 포장분류 | III |
| 위험 등급 | 6.1(b) |
용도
개요
An alkaloid found in annual rye grass, this base has been suggested as a possible precursor of annuloline (q.v.).
용도
Octopamine is a biogenic monoamine structurally related to Noradrenaline (N661038), it acts as a neurohormone, neuromodulator and a neurotransmitter in invertebrates.