식별자 및 물리적 특성
| CAS No. | 82-58-6 |
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| 분자식 | C16H16N2O2 |
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| 평균 분자량 | 268.31 g/mol |
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| 단동위원소 질량 | 268.12117776 g/mol |
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| SMILES | CN1C[C@H](C(=O)O)C=C2c3cccc4[nH]cc(c34)C[C@H]21 |
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| InChIKey | ZAGRKAFMISFKIO-QMTHXVAHSA-N |
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| PubChem CID | 6717 |
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| ChEBI | CHEBI:6604 |
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| EC No. | 201-431-9 |
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| DTXSID | DTXSID60904515 |
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화학 및 물리적 성질
| XLogP | 0 |
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| 극성 표면적 | 56.3 |
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| 수소 결합 공여자 수 | 2 |
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| 수소 결합 수용자 수 | 3 |
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| 회전 가능 결합 수 | 1 |
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| 무거운 원자 수 | 20 |
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| 형식 전하 | 0 |
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| 복잡도 | 461 |
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안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.DangerH301 (82.6%): Toxic if swallowed [Danger Acute toxicity, oral]H311 (82.6%): Toxic in contact with skin [Danger Acute toxicity, dermal]H331 (82.6%): Toxic if inhaled [Danger Acute toxicity, inhalation]P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 7 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 46 reports by companies.There are 6 notifications provided by 45 of 46 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. |
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| 규제 정보 | DEA schedule III controlled substanceStatus: Active Update: 29-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26246Status: Active Update: 15-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21805 |
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| Hazard Classes and Categories | Acute Tox. 3 (82.6%) |
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