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Pempidine

HCID 6603
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
79-55-0
표준 SMILES
CN1C(C)(C)CCCC1(C)C
InChIKey
XULIXFLCVXWHRF-UHFFFAOYSA-N
분자식
C10H21N
평균 분자량
155.28 g/mol
단동위원소 질량
155.16739967

개요

1,2,2,6,6-pentamethylpiperidine is a member of piperidines.

이름 및 식별자

우선 이름
Pempidine
IUPAC
1,2,2,6,6-pentamethylpiperidine
영어명
1,2,2,6,6-Pentamethylpiperidine
분자식
C10H21N
분자량
155.28

이름 및 동의어

Pempidine1,2,2,6,6-Pentamethylpiperidine79-55-0PyrileneTenormalPerolysenPIPERIDINE, 1,2,2,6,6-PENTAMETHYL-PempidinaPempidinumM+B 4486N5I18JI9D6DTXSID7046962
이름 더 보기
Pentamethylpiperidine1,2,2,6,6-pentamethylenepiperidineN-Methyl-2,2,6,6-TetramethylpiperidinePMPm+b4486M&B 4486
NSC-758448RefChem:170733pirilenum (for the tosilate)DTXCID5026962201-211-21,2,2,6,6-Pentamethyl-piperidineMFCD00006493MLS004734620

데이터베이스 식별자

CAS
79-55-0
PubChem CID
6603
DTXSID
DTXSID7046962
ChEMBL
CHEMBL1617409
ChEBI
CHEBI:94718
UNII
N5I18JI9D6
EC Number
201-211-2
Nikkaji
J4.234J

물성

구조 계산 물성보충 중

XLogP
2.3
극성 표면적
3.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
0
무거운 원자 수
11
형식 전하
0
복잡도
131

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Amines, Cyclic
Human DrugsPharmaceuticals
Physical DescriptionLiquid; [Merck Index] Colorless liquid; [Aldrich MSDS]
Collision Cross Section137.87 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

물리화학적 성질

녹는점
25 °C · <25 °C
끓는 점
187 · 187-188 °C(lit.)
밀도
0.858 g/mL · 0.858 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.460(lit.)
인화점
122 °F · 122 °F
저장 조건
Inert atmosphere,Room Temperature
용해도
톨루엔, 디메틸포름아미드에 용해됩니다.
물리적 상태
액체
산도 계수 (pKa)
11.25 · 11.25(at 30℃)
색상
무색투명~연황색
Merck
14 · 14,7080

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationPempidine: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; Toxic by ingestion; [Aldrich MSDS] See Piperidine.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
TN2190000
ridadr
UN 1992 3/PG 3
독성
LD50 orl-mus: 275 mg/kg NATUAS 184,1707,59
HS 번호
29333999
risk_code
10-22-36/37/38
hazard_code
Xn
safety_code
26-36/37
포장분류
III
위험 등급
3
F 고인화성물질
10-34

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 3건

Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS.

Agents having as their major action the interruption of neural transmission at nicotinic receptors on postganglionic autonomic neurons. Because their actions are so broad, including blocking of sympathetic and parasympathetic systems, their therapeutic use has been largely supplanted by more specific drugs. They may still be used in the control of blood pressure in patients with acute dissecting aortic aneurysm and for the induction of hypotension in surgery.

Drugs that bind to nicotinic cholinergic receptors (RECEPTORS, NICOTINIC) and block the actions of acetylcholine or cholinergic agonists. Nicotinic antagonists block synaptic transmission at autonomic ganglia, the skeletal neuromuscular junction, and at central nervous system nicotinic synapses.

용도 및 제조

Uses · 1건

The tartrate salt is used as a therapeutic anti-hypertensive; [Merck Index] A nicotinic antagonist most commonly used as an experimental tool. It has been used as a ganglionic blocker in the treatment of hypertension but has largely been supplanted for that purpose by more specific drugs. [ChemIDplus]

Use ClassificationPharmaceuticals
General Manufacturing InformationPiperidine, 1,2,2,6,6-pentamethyl-: ACTIVE
응용 분야 · 2건

용도1,2,2,6,6-Pentamethylpiperidine is used in the synthesis of BN-fused polycyclic aromatic molecules for potential application to electronic materials and apparatus. In addition, it is a catalyst for th e chemoselective silylation of benzylic alcohols.

관련 반응

13건
반응 기록 만들기
HRID 445539 반응식
HRID 445539반응물로uspto-grants-2013_07
HRID 688287 반응식
HRID 688287반응물로Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1156449 반응식
HRID 1156449반응물로uspto-grants-1982_06
HRID 1548710 반응식
HRID 1548710반응물로Training data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1859274 반응식
HRID 1859274반응물로uspto-grants-2000_11
HRID 1859275 반응식
HRID 1859275반응물로uspto-grants-2000_11
HRID 1859276 반응식
HRID 1859276반응물로uspto-grants-2000_11
HRID 1996764 반응식
HRID 1996764시약으로39k HTE dataset from Pfizer
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BRN
103806 · 103806
InChI
1S/C10H21N/c1-9(2)7-6-8-10(3,4)11(9)5/h6-8H2,1-5H3
InChIKey
XULIXFLCVXWHRF-UHFFFAOYSA-N
SMILES
CN1C(C)(C)CCCC1(C)C
EPA
1 · Piperidine, 1,2,2,6,6-pentamethyl- (79-55-0)

화학적 성질

CLEAR COLORLESS TO LIGHT YELLOW LIQUID

Hazard Classifications
Acute Tox. 3 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
스토리지 클래스
3 - Flammable liquids

일반 설명The focal 1,8-naphthalimide fluorophores in the antennae were modified with 1,2,2,6,6-pentamethylpiperidine to improve their photostability.