Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2-Propylpiperidine
CONIINE · DL-CONIINE · (±)-Coniine · rac-coniine · (+/-)CONINE · CONIINE, DL- · 2-PROPYLPIPERIDINE · 2-PRIOPYLPIPERIDINE
식별자 및 물리적 특성
| CAS No. | 3238-60-6 |
|---|---|
| 분자식 | C8H17N |
| 평균 분자량 | 127.23 g/mol |
| 단동위원소 질량 | 127.13609955 g/mol |
| SMILES | CCCC1CCCCN1 |
| InChIKey | NDNUANOUGZGEPO-UHFFFAOYSA-N |
| PubChem CID | 9985 |
| ChEMBL | CHEMBL21867 |
| ChEBI | CHEBI:229941 |
| EC No. | 221-801-3 |
| DTXSID | DTXSID3046821 |
화학 및 물리적 성질
| XLogP | 2 |
|---|---|
| 극성 표면적 | 12 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 71 |
| 용해도 | 18 mg/mL |
| 녹는점 | -2 °C-2℃ |
| Physical Description | Liquid |
| Kovats Retention Index | 992 |
| 끓는 점 | 56-60 °C(Press: 13 Torr) |
| 밀도 | 0.85 g/mL at 25 °C(lit.) |
| 저장 조건 | Sealed in dry,2-8°C |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | pK1:11.24(+1) (25°C,μ=0.5) |
| 색상 | 투명한 무색~황록색 |
화학적 성질
Colorless liquid; darkens on exposure tolight and air; polymerizes; boils at 166°C(330.8°F); melts at -2°C (28.4°F); alkaline, pKa 3.1; density 0.845 at 20°C (68°F);slightly soluble in water and chloroform,readily soluble in most organic solvents.
안전 및 규제
| GHS 분류 | DangerH226 (97.5%): Flammable liquid and vapor [Warning Flammable liquids]H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]H311 (97.5%): Toxic in contact with skin [Danger Acute toxicity, dermal]H331 (97.5%): Toxic if inhaled [Danger Acute toxicity, inhalation]H351 (97.5%): Suspected of causing cancer [Warning Carcinogenicity]P203, P210, P233, P240, P241, P242, P243, P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P316, P318, P321, P330, P361+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.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. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (97.5%)Acute Tox. 3 (97.5%)Carc. 2 (97.5%) |
| 건강 영향 | Disruption of the peripheral nervous systemrespiratory paralysisdeath. |
| 독성 요약 | (S)-2-Propylpiperidine is a neurotoxin which disrupts the peripheral nervous system. It is toxic to humans and all classes of livestockless than 0.2g is fatal to humans, with death caused by respiratory paralysis. Propylpiperidine has a nicotine-like action in first stimulating and then depressing autonomic ganglia, and a curare-like effect in paralysing the motor nerve endings to the skeletal muscles. |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | UN 2810 6.1/PG 2 |
| 독성 | Piperidine alkaloid obtained from poison hemlock, Conium maculatum. Alkaline, steam volatile liquid (b.p. 167_x0003_C), mousy odor. Darkens and polymerizes in air. It can be reduced at high temperature with HI to n-octane and oxidized to pyridine-1-carboxylic acid. The hydrochloride is used as an antispasmodic. |
용도
용도
Coniine is present in all parts of the plantpoison hemlock (Conium maculatum). It isthe first alkaloid to be synthesized and structure determined. Because of its high toxicity,its clinical application is very limited.