3-Aminoquinoline

HCID 11375CAS 580-17-6

기본 정보

표준 SMILES
Nc1cnc2ccccc2c1
InChIKey
SVNCRRZKBNSMIV-UHFFFAOYSA-N
분자식
C9H8N2
평균 분자량
144.17 g/mol
단동위원소 질량
144.06874826

개요

3-Aminoquinoline is an aminoquinoline.

이름 및 식별자

우선 이름
3-Aminoquinoline
IUPAC
quinolin-3-amine
영어명
3-Aminoquinoline
분자식
C9H8N2
분자량
144.17

이름 및 동의어

3-AMINOQUINOLINEquinolin-3-amine3-Quinolinamine3-QuinolylamineQuinoline, 3-amino-3-Quinolineamine(Quinolin-3-yl)amineCCRIS 1678NSC 7934EINECS 209-455-1UNII-98OVL5K3R4BRN 0113317
이름 더 보기
3-AQ3-AminoquinoL3-amino-quinolin6-Amine-quinolineQUINOLIN-3-YLAMINE
98OVL5K3R4NSC-7934AMINOQUINOLINE, 3-DTXSID80603795-22-10-00233 (Beilstein Handbook Reference)RefChem:93006DTXCID5042295InChI=1/C9H8N2/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H,10H

데이터베이스 식별자

CAS
580-17-6
PubChem CID
11375
DTXSID
DTXSID8060379
ChEMBL
CHEMBL80298
ChEBI
CHEBI:166512
UNII
98OVL5K3R4
EC Number
209-455-1
Nikkaji
J48.195E

물성

구조 계산 물성

XLogP
1.6
극성 표면적
38.9 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
11

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

녹는점
91 · 91-92 °C(lit.)
끓는 점
137 °C · 137 °C / 1mmHg
밀도
1.1148 · 1.1148 (estimate)
굴절률
1.708 · 1.7080 (estimate)
저장 조건
30 °C · Store below +30°C.
용해도
0.1 g/mL, · 메탄올: 0.1 g/mL, 투명

화학적 성질

beige crystals

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (10.9%): Harmful if swallowed [Warning Acute toxicity, oral]

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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (10.9%)
CSL Reaction Information · 6건

CSL00129

3-AMINOQUINOLINE + SODIUM ETHYLXANTHATE

I was attempting to prepare 3-[ethoxy(thiocarbonyl)thio]quinoline by reacting the diazonium salt of 3-aminoquinine with potassium ethyl xanthate when an explosion occurred. Thankfully, the injury I received was minor. I was following the procedure described in the Journal of the Chemical Society, Part III [3, 2384 (1959)] on twice their scale. Jerry March's book "Advanced Organic Chemistry: Reactions, Mechanisms, Structure" (New York: John Wiley & Sons, 1992, 4th edition, page 670) lists the procedure as a customary route for the desired aryl xanthate ester and a convenient method for producing thiophenols. The same procedure is also described in "Organic Syntheses, Collective Volume III" (New York: John Wiley & Sons, page 809), which contains a cautionary note about a reported explosion, although the editors found no unusual reactivity. Since diazo esters were present, the explosion most likely resulted from the diazo ester's tendency to decompose explosively. It is unclear whether the diazo ester is a precursor of the desired product or whether the diazo ester forms through a competitive reaction. The reaction proceeded without event. But unlike the literature preparations, precipitation occurred during product extraction with diethyl ether and was isolated by filtration. A 1H NMR of the wet cake was consistent with the desired structure. The solid was air-dried overnight and weighed 17 g. The detonation occurred when a metal spatula was inserted into the solid. Related work in Tetrahedron Letters [26, 6365 (1985)] successfully demonstrated the safe preparation of diaryl sulfides. However, this was done at 25 ºC (mine at 45 ºC) with care taken to avoid heat, since a reference is cited of an explosion at 60 ºC. Also, the disappearance of the suspected diazo sulfide was monitored by thin layer chromatography, and sluggish reactions were not pushed to conversion. Instead, chromatography was used to remove any intermediates.

Explosive

M (up to 100g)

http://pubs.acs.org/cen/safety/20010709.html

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
VA9622000
ridadr
2811
독성
mma-sat 5 mmol/plate MUREAV 187,191,87
HS 번호
29334990

화학 및 산업

용도 및 제조

UsesSynthetic Polymer MALDI Matrix Compounds
General Manufacturing Information3-Quinolinamine: INACTIVE
응용 분야 · 1건

용도3-Aminoquinoline was used:in liquid matrix for matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) for glycopeptides, carbohydrates and phosphopeptidesin liquid matrix during novel glycan-labeling method for quantitative profiling of N-glycan by MALDI-MS analysisas derivatizing reagent for MALDI-MS analysis of oligosachharides

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Shanghai Innopharm Industrial Co., Ltd.+86-21-59960785 +86-17701845089 · [email protected]

관련 반응

143건

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