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8-Aminoquinoline

HCID 11359
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인쇄 미리보기
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
578-66-5
표준 SMILES
Nc1cccc2cccnc12
InChIKey
WREVVZMUNPAPOV-UHFFFAOYSA-N
분자식
C9H8N2
평균 분자량
144.17 g/mol
단동위원소 질량
144.06874826

개요

antimalarial; sitamaquine (WR-6026) is an orally active 8-aminoquinoline analog

이름 및 식별자

우선 이름
8-Aminoquinoline
IUPAC
quinolin-8-amine
영어명
8-Aminoquinoline
분자식
C9H8N2
분자량
144.17

이름 및 동의어

8-AMINOQUINOLINE578-66-58-Quinolinamine8-QuinolylamineQuinoline, 8-amino-U34EAV21TGWR 6920NSC-7933DTXSID4060369NC-066WR-6920RefChem:547592
이름 더 보기
Quinolin-8-ylaMinenc066wr69208-AminoAKOS 91147AKOS AUF017008-AminoquinoL
DTXCID8042262WR006026WR-006026209-427-9N,N-diethyl-N'-(6-methoxy-4-methyl-8-quinolinyl)-1,6-hexanediaminequinolin-8-amineMFCD00006809AS-232

데이터베이스 식별자

CAS
578-66-5
PubChem CID
11359
DTXSID
DTXSID4060369
ChEMBL
CHEMBL99932
UNII
U34EAV21TG
EC Number
209-427-9
Nikkaji
J1.629B

물성

구조 계산 물성

XLogP
1.8
극성 표면적
38.9 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
11
형식 전하
0
복잡도
136

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Quinolines
LogP1.79
Vapor Pressure0.00055 [mmHg]
Physical DescriptionYellow solidified mass or fragments; [Aldrich MSDS]

물리화학적 성질

녹는점
60 · 60-65 °C (lit.)
끓는 점
174 °C/26 · 174 °C/26 mmHg (lit.)
밀도
1.1148 · 1.1148 (estimate)
굴절률
1.708 · 1.7080 (estimate)
인화점
174 °C/26mm · 174°C/26mm
저장 조건
Keep in dark place,Inert atmosphere,Room temperature
산도 계수 (pKa)
1 · pK1: 3.99(+1) (20°C,μ=0.01)
물리적 상태
결정성 분말
색상
녹색에서 베이지색 갈색
수용성
약간 용해됨
BRN
114474 · 114474
InChI
1S/C9H8N2/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H,10H2

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: 8-Quinolinamine

8-Aminoquinoline: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Aldrich MSDS] See 5-Aminoquinoline.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
VA9627000
ridadr
UN2811
독성
mmo-sat 50 mg/plate MUREAV 39,285,77
HS 번호
29334990
risk_code
68-36/37/38-20/21/22-36/38
hazard_code
Xn,Xi
safety_code
36/37/39-26-22-36
위험 등급
IRRITANT
위험 참고 사항
Harmful/Irritant/Air Sensitive
Hazard Classifications

화학 및 산업

용도 및 제조

General Manufacturing Information8-Quinolinamine: ACTIVE
응용 분야 · 2건

용도8-Aminoquinoline is used as pesticide and pharmaceutical intermediate. It has been used in the preparation of base-stabilized terminal borylene complex of osmium. It is also used in the spectrophotometric determination of bivalent palladium.

일반 설명8-Aminoquinoline fluoresce moderately to weakly in low dielectric media but not in strongly hydrogen-bonding or acidic aqueous media. The reaction of 8-aminoquinoline with chromium (III), manganese (II), iron (II) and (III), cobalt (II), nickel (II), copper (II), zinc (II), cadmium (II) and platinum (II) salts has been studied.

제조 방법 · 1건

Synthesis of 8-aminoquinoline: Under an ice bath, sulfuric acid (2.0 mL) was added onto quinoline (5 mmol, 1.0 equiv) then 65% nitric acid (3.0 equiv) were added dropwise and stirred for 4h at rt. The mixture was poured into the ice water and neutralized with NaOH; and then extracted with dichloromethane. After dried over Na2SO4 and evaporated in vacuo, used next step without purification.Mixture of nitroquinolines and 5% Pd/C was solved in ethanol and suspension was saturated with hydrogen gas under atmospheric pressure at 40°C until the starting material was consumed. 2 h later, the mixture was filtered and evaporated. The crude product was purified by silica gel column chromatography, eluting with EtOAc in hexanes to yield the desired 8-aminoquinoline is isolated as a brown solid in a yield of 32%.Obtained as a brown solid (231 mg, 32%); 1H NMR (500 MHz, CDCl3) δ 8.71 – 8.60 (m, 1H), 7.93 (d, J = 8.2 Hz, 1H), 7.29 – 7.16 (m, 2H), 7.02 (d, J = 8.1 Hz, 1H), 6.80 (d, J = 7.4 Hz, 1H), 4.89 (s, 2H).

상·하류 제품 정보

상류 원료

황산퀴놀린

관련 반응

172건
반응 기록 만들기
HRID 11854 반응식
HRID 11854반응물로uspto-grants-2006_08
HRID 33548 반응식
HRID 33548반응물로uspto-grants-2008_09
HRID 41319 반응식
HRID 41319반응물로uspto-grants-2013_09
HRID 41323 반응식
HRID 41323반응물로uspto-grants-2013_09
HRID 52555 반응식
HRID 52555반응물로uspto-grants-1997_04
HRID 91144 반응식
HRID 91144반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 105134 반응식
HRID 105134반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 120818 반응식
HRID 120818반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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더보기
새 노트새 반응견적 요청하기
InChIKey
WREVVZMUNPAPOV-UHFFFAOYSA-N
SMILES
Nc1cccc2cccnc12
NIST
8 · 8-Quinolinamine(578-66-5)
EPA
8 · 8-Quinolinamine (578-66-5)

화학적 성질

green to beige-brown crystalline powder

Eye Irrit. 2Skin Irrit. 2
스토리지 클래스
11 - Combustible Solids
디클로로메탄
질산

하류 제품

8-Quinolineboronic acidO-페난트롤린퀴놀린산8-요오도퀴놀린8-(4-벤젠설포닐아미노)퀴놀린8-(메틸술포닐아미노)퀴놀린4-22-00-04712 (Beilstein Handbook Reference)