Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 46835621생성일: 2026년 11월 2일
1-BOC-4-시아노-4-메틸-피페리딘
1-BOC-4-시아노-4-메틸-피페리딘 · 1-Boc-4-cyano-4-Methylpip... · 1-BOC-4-CYANO-4-METHYL-PIPERIDINE · Ert-Butyl 4-Cyano-4-Methylpiperidine-1-Carboxylate · tert-butyl 4-cyano-4-Methylpiperidine-1-carboxylate · 4-Cyano-4-methyl-piperidine-1-carboxylic acid tert-butyl ester · 4-Cyano-4-methylpiperidine-1-carboxylic acid tert-butyl este... · 1-Piperidinecarboxylic acid, 4-cyano-4-methyl-, 1,1-dimethylethyl ester
https://huagongshe.com/ko/chemical/46835621
식별자 및 물리적 특성
| CAS No. | 530115-96-9 |
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| 분자식 | C12H20N2O2 |
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| 평균 분자량 | 224.3 g/mol |
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| 단동위원소 질량 | 224.15247789 g/mol |
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| SMILES | CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 |
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| InChIKey | VREJUXWEWOVHHU-UHFFFAOYSA-N |
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| PubChem CID | 46835621 |
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| EC No. | 139-914-0 |
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| DTXSID | DTXSID00676502 |
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| 현지명 | 1-BOC-4-시아노-4-메틸-피페리딘 |
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화학 및 물리적 성질
| XLogP | 1.7 |
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| 극성 표면적 | 53.3 |
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| 수소 결합 공여자 수 | 0 |
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| 수소 결합 수용자 수 | 3 |
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| 회전 가능 결합 수 | 2 |
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| 무거운 원자 수 | 16 |
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| 형식 전하 | 0 |
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| 복잡도 | 314 |
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| 끓는 점 | 327.9±35.0 °C(Predicted) |
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| 밀도 | 1.05±0.1 g/cm3 (20 ºC 760 Torr) |
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| 저장 조건 | Sealed in dry,Room Temperature |
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| 물리적 상태 | white to brown solid |
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| pKa(산도 계수) | -3.05±0.40(Predicted) |
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| InChI | InChI=1S/C12H20N2O2/c1-11(2,3)16-10(15)14-7-5-12(4,9-13)6-8-14/h5-8H2,1-4H3 |
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| InChIKey | VREJUXWEWOVHHU-UHFFFAOYSA-N |
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| SMILES | N1(C(OC(C)(C)C)=O)CCC(C#N)(C)CC1 |
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안전 및 규제
| GHS 분류 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
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| 운송 번호(UN) | UN2811 |
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| 관세 코드 | 2933399990 |
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