Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 87739생성일: 2026년 11월 2일
2-Naphthalenecarboxamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-(4-nitrophenoxy)-
N-(4-(2,4-DI-T-PENTYLPHENOXY)BUTYL)-1-HYDROXY-4-(4-NITRO-PHO)-2-NAPHTHAMIDE · N-(4-(2,4-Di-tert-pentylphenoxy)butyl)-1-hydroxy-4-(p-nitrophenoxy)-2-naphthoamid · N-[4-(2,4-di-tert-pentylphenoxy)butyl]-1-hydroxy-4-(p-nitrophenoxy)-2-naphthoamide · 1-Hydroxy-4-(p-nitrophenoxy)-N-[4-(2,4-di-tert-pentylphenoxy)butyl]-2-naphthalenecarboxamide · 2-Naphthalenecarboxamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-(4-nitrophenoxy)-
https://huagongshe.com/ko/chemical/87739
식별자 및 물리적 특성
| CAS No. | 18643-47-5 |
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| 분자식 | C37H44N2O6 |
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| 평균 분자량 | 612.8 g/mol |
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| 단동위원소 질량 | 612.31993713 g/mol |
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| SMILES | CCC(C)(C)c1ccc(OCCCCNC(=O)c2cc(Oc3ccc([N+](=O)[O-])cc3)c3ccccc3c2O)c(C(C)(C)CC)c1 |
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| InChIKey | ZSDDKJNSRHOOHU-UHFFFAOYSA-N |
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| PubChem CID | 87739 |
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| ChEMBL | CHEMBL3747291 |
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| EC No. | 242-474-3 |
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| DTXSID | DTXSID8066395 |
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화학 및 물리적 성질
| XLogP | 10.8 |
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| 극성 표면적 | 114 |
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| 수소 결합 공여자 수 | 2 |
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| 수소 결합 수용자 수 | 6 |
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| 회전 가능 결합 수 | 13 |
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| 무거운 원자 수 | 45 |
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| 형식 전하 | 0 |
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| 복잡도 | 942 |
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| Endocrine Disruptors | Potential endocrine disrupting compound |
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| 끓는 점 | 736.0±60.0 °C(Predicted) |
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| 밀도 | 1.158±0.06 g/cm3(Predicted) |
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| pKa(산도 계수) | 8.00±0.50(Predicted) |
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| EPA | 2-Naphthalenecarboxamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-(4-nitrophenoxy)- (18643-47-5) |
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![2-Naphthalenecarboxamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-(4-nitrophenoxy)- 분자 구조식](/img/chemical/87739.png)