식별자 및 물리적 특성
| CAS No. | 12217-80-0 |
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| 분자식 | C20H17N3O5 |
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| 평균 분자량 | 379.4 g/mol |
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| 단동위원소 질량 | 379.11682064 g/mol |
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| SMILES | COCCCn1c(=O)c2c(N)c3c(=O)c4ccccc4c(=O)c3c(N)c2c1=O |
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| InChIKey | WBCXRDHKXHADQF-UHFFFAOYSA-N |
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| PubChem CID | 25530 |
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| EC No. | 235-402-7 |
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| DTXSID | DTXSID5065271 |
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화학 및 물리적 성질
| XLogP | 1.8 |
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| 극성 표면적 | 133 |
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| 수소 결합 공여자 수 | 2 |
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| 수소 결합 수용자 수 | 7 |
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| 회전 가능 결합 수 | 4 |
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| 무거운 원자 수 | 28 |
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| 형식 전하 | 0 |
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| 복잡도 | 656 |
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안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 44.4% (79 of 178) of reports.WarningH302 (25.8%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 178 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| 규제 정보 | Chemical: 1H-Naphth[2,3-f]isoindole-1,3,5,10(2H)-tetrone, 4,11-diamino-2-(3-methoxypropyl)-Status: Active Update: 15-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/172711H-Naphth2,3-fisoindole-1,3,5,10(2H)-tetrone, 4,11-diamino-2-(3-methoxypropyl)-: Does not have an individual approval but may be used under an appropriate group standard |
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| Hazard Classes and Categories | Acute Tox. 3 (25.8%) |
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