3-(Pyrrolidin-2-yl)pyridine (HCID 412)

이름 및 식별자

우선 이름: 3-(Pyrrolidin-2-yl)pyridine
IUPAC: 3-pyrrolidin-2-ylpyridine
영어명: 3-(2-Pyrrolidinyl)pyridine
분자식: C9H12N2
분자량: 148.21

이름 및 동의어

3-(pyrrolidin-2-yl)pyridineRefChem:496138637-353-05746-86-13-pyrrolidin-2-yl-pyridine(+-)-NornicotineDL-NORNICOTINE(+/-)-NornicotineMFCD00016913(+-)-1'-Demethylnicotinedl-Norcitine( inverted exclamation markA)-Nornicotine

이름 더 보기

Nornicotine(R,S)-NORNICOTINE3-PYRROLIDIN-2-YLPYRIDINE(±)-NornicotineNORNICOTINE, DL-Nicotine USP RC FDL-Nornicotine,96%beta-dl-nornicotine

3-(2-Pyrrolidyl)pyridine(+-)-3-(2-Pyrrolidinyl)pyridine(S)-3-Pyrrolidin-2-yl-pyridine2-(3-PYRIDINYL)PYRROLIDINE13450-58-3(S)-2-(3-Pyridyl)pyrrolidineSMR000449277(R,S)-Nornicotine (1.0 mg/mL in Methanol)

데이터베이스 식별자

CAS: 494-97-3、5746-86-1
PubChem CID: 412
DTXSID: DTXSID50862034
EC Number: 637-353-0
Nikkaji: J391.269H

물성

구조 계산 물성

XLogP: 0.2
극성 표면적: 24.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 125

실험 및 물리화학적 성질

LogP0.17

Boiling Point270 °C

Physical DescriptionLiquid

Kovats Retention Index1435.4

물리화학적 성질

녹는점: 235 · 235-236 °C(Solv: ethanol (64-17-5))
끓는 점: 107 · 107-108°C 2mm
밀도: 1 · 1,074 g/cm3
굴절률: 1.54 · 1.54
인화점: 101 °C · 101°C
저장 조건: 2 · 2-8°C
용해도: 2 O: · H2O: 50 mg/mL
물리적 상태: 액체
산도 계수 (pKa): 9.09 · 9.09±0.10(Predicted)
색상: 노란색
Specific Gravity: 1.074 · 1.074
수용성: 아세톤, 클로로포름 및 물(50mg/ml)에 용해됩니다.
Merck: 14 · 14,6712
BRN: 81968 · 81968
안정성: 흡습성, 감광성, 수분 민감성
InChI: 1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2
InChIKey: MYKUKUCHPMASKF-UHFFFAOYSA-N
SMILES: C1CNC(C1)c2cccnc2

화학적 성질

Colourless Oil

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (98%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (98%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (87.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory 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)

Aggregated GHS information provided per 49 reports by companies from 9 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 CategoriesAcute Tox. 4 (98%)；Acute Tox. 4 (98%)；Skin Irrit. 2 (98%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (98%)；STOT SE 3 (87.8%)

안전 데이터

wgk: 3
rtecs: QS6350000
ridadr: 2810
독성: LDLo ipr-rat: 6 mg/kg AJEBAK 25,83,47
HS 번호: 29399990
risk_code: 20/21/22-36/37/38-39/23/24/25-23/24/25-11
hazard_code: Xn,Xi,T,F
safety_code: 26-36/37-45-16-7
포장분류: III
위험 등급: 6.1
F 고인화성물질: 3-10
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

약리 정보

Metabolism/MetabolitesNornicotine is a known thirdhand smoke metabolite of Nicotine.

Tissue LocationsKidney；Liver

Cellular LocationsCytoplasm

Metabolite PathwaysNicotine Action Pathway；Nicotine Metabolism Pathway

용도 및 제조

Use ClassificationNatural products -> Stimulants -> Transformation products

응용 분야 · 2건

개요(±)-Nornicotine is a metabolite of nicotine that acts as a neuronal nicotinic acetylcholine receptor (nAChR) agonist. The α6 and α7 subunit-containing neuronal nAChRs are particularly responsive to nornicotine with EC50 values of approximately 4 and 17 μM, respectively, when expressed in Xenopus oocytes. Nornicotine promotes cell migration and destabilizes cell-cell junctions in an endothelial cell line. It is generally thought to be free from abuse potential, but it has been self-administered by rats. It can be detected in urine.

용도3-(2-Pyrrolidinyl)pyridine is a tobacco alkaloid and the major Nicotine (N412420) metabolite in brain. Nornicotine appears to activate different nAChR subtypes, has a better pharmacokinetic profile, and produces less toxicity than Nicotine. Nornicotine shows a significant analgesic activity. Nicotine USP Related Compound F (3-(pyrrolidine-2-yl)pyridine).