Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 94355생성일: 2026년 10월 27일
2-Amino-2,3-dimethylbutyronitrile
2-AMINO-2,3-DIMETHYLBUTANENITRILE · 2-AMINO-2,3-DIMETHYL-BUTYRONITRILE · AC-94149 · 2-Amino-2,3-dimethyl · 2-AMino-2,3-diMethyl-butyronitril · Butanenitrile, 2-aMino-2,3-diMethyl- · [(2R)-2-cyano-3-methylbutan-2-yl]ammonium · hot selling 2-Amino-2 3-dimethylbutyronitrile
https://huagongshe.com/ko/chemical/94355
식별자 및 물리적 특성
| CAS No. | 13893-53-3 |
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| 분자식 | C6H12N2 |
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| 평균 분자량 | 112.17 g/mol |
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| 단동위원소 질량 | 112.10004838 g/mol |
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| SMILES | CC(C)C(C)(N)C#N |
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| InChIKey | CAOHBROWLMCZRP-UHFFFAOYSA-N |
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| PubChem CID | 94355 |
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| ChEMBL | CHEMBL3182303 |
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| EC No. | 604-102-1 |
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| DTXSID | DTXSID2027759 |
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화학 및 물리적 성질
| XLogP | 0.6 |
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| 극성 표면적 | 49.8 |
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| 수소 결합 공여자 수 | 1 |
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| 수소 결합 수용자 수 | 2 |
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| 회전 가능 결합 수 | 1 |
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| 무거운 원자 수 | 8 |
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| 형식 전하 | 0 |
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| 복잡도 | 120 |
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| Physical Description | Liquid |
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| 끓는 점 | 43 °C |
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| 밀도 | 0.896±0.06 g/cm3(Predicted) |
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| 증기압 | 8.98-101430Pa at 20-165.5℃ |
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| 저장 조건 | under inert gas (nitrogen or Argon) at 2–8 °C |
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| 용해도 | 에 용해됨클로로포름, 메탄올 (약간 용해됨) |
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| pKa(산도 계수) | 5.18±0.25(Predicted) |
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| 물리적 상태 | 기름 |
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| 색상 | 연노랑 |
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| InChI | InChI=1S/C6H12N2/c1-5(2)6(3,8)4-7/h5H,8H2,1-3H3 |
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| InChIKey | CAOHBROWLMCZRP-UHFFFAOYSA-N |
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| SMILES | C(#N)C(N)(C)C(C)C |
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| LogP(분배 계수) | 0.7 at 23℃ and pH6.1-10.5 |
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| EPA | 2-Amino-2,3-dimethylbutanenitrile (13893-53-3) |
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안전 및 규제
| GHS 분류 | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 106 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| 규제 정보 | Butanenitrile, 2-amino-2,3-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butanenitrile, 2-amino-2,3-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 08-09-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/11880 |
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| Hazard Classes and Categories | Acute Tox. 3 (100%) |
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| TSCA 등재 상태 | TSCA listed |
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| 독성 | rat,LD50,skin,95mg/kg (95mg/kg),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)LUNGS, THORAX, OR RESPIRATION: DYSPNEABEHAVIORAL: ATAXIA,National Technical Information Service. Vol. OTS0540156, |
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| 관세 코드 | 2926907090 |
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