기본 정보
- 표준 SMILES
CCCC1CCCCN1- InChIKey
NDNUANOUGZGEPO-UHFFFAOYSA-N- 분자식
- C8H17N
- 평균 분자량
- 127.23 g/mol
- 단동위원소 질량
- 127.13609955
이름 및 식별자
- 우선 이름
- 2-Propylpiperidine
- IUPAC
- 2-propylpiperidine
- 영어명
- 2-Propylpiperidine
- 분자식
- C8H17N
- 분자량
- 127.23
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
3238-60-6、458-88-8- PubChem CID
- 9985
- DTXSID
DTXSID3046821- ChEMBL
CHEMBL21867- ChEBI
CHEBI:229941- UNII
- 04R53ZF48T
- EC Number
- 221-801-3
- Nikkaji
- J1.077.264H
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 12 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 71
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- -2 ℃ · -2℃
- 끓는 점
- 56 · 56-60 °C(Press: 13 Torr)
- 밀도
- 0.85 g/mL · 0.85 g/mL at 25 °C(lit.)
- 저장 조건
- 2 · Sealed in dry,2-8°C
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 1 · 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
GHS Classification
Danger
H226 (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.
유해성 정보
독성 정보
Toxicity Summary
(S)-2-Propylpiperidine is a neurotoxin which disrupts the peripheral nervous system. It is toxic to humans and all classes of livestock; less 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.
안전 데이터
- wgk
- 3
- ridadr
- 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.
- HS 번호
- 2933399990
- risk_code
- 23/24/25-40
- hazard_code
- T
- safety_code
- 22-36/37/39-45
- 위험 등급
- IRRITANT
화학 및 산업
약리 정보
용도 및 제조
응용 분야
용도Coniine 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.
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