2-Propylpiperidine

HCID 9985CAS 3238-60-6

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

2-PropylpiperidineRefChem:4832873238-60-62-N-propylpiperidinedl-Coniine(+/-)-Coniinepiperidine, 2-propyl-(S)-2-Propylpiperidine(S)-ConiineMFCD00056022DTXSID3046821CONIINE, D/L-(RG)
이름 더 보기
CONIINE(±)-Coniinerac-coniine(+/-)CONINECONIINE, DL-2-PRIOPYLPIPERIDINE(R)-2-Propylpiperidine
10388-95-1Piperidine, 2-propyl-, (2S)-04R53ZF48T( inverted exclamation markA)-ConiineNCGC00181040-01DTXCID1026821HSDB 3474EINECS 207-282-6

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

실험 및 물리화학적 성질

Solubility18 mg/mL
Melting Point-2 °C
Physical DescriptionLiquid
Kovats Retention Index992

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)
화학적 성질 · 1건

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 · 5건

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

Hazard Classes and CategoriesFlam. Liq. 3 (97.5%);Acute Tox. 3 (97.5%);Acute Tox. 3 (97.5%);Acute Tox. 3 (97.5%);Carc. 2 (97.5%)

독성 정보

Health EffectsDisruption of the peripheral nervous system; respiratory paralysis; death.
Toxicity Summary · 1건

(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.

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

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

화학 및 산업

약리 정보

Cellular LocationsCytoplasm;Extracellular

용도 및 제조

Uses(S)-2-Propylpiperidine is found in black elderberry.

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.

공급사35 곳

广州诚创生物科技有限公司18027266590 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京炎礼生物科技有限公司18600731423 · [email protected]
苏州维塔力生物医药有限公司512-68242903 13916956214 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]

관련 반응

4건

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