2-Methyl-8-aminoquinoline

HCID 140457CAS 18978-78-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1ccc2cccc(N)c2n1
InChIKey: JHIAOWGCGNMQKA-UHFFFAOYSA-N
분자식: C10H10N2
평균 분자량: 158.2 g/mol
단동위원소 질량: 158.08439832

개요

2-methyl-8-quinolinamine is an aminoquinoline.

이름 및 식별자

우선 이름: 2-Methyl-8-aminoquinoline
IUPAC: 2-methylquinolin-8-amine
영어명: 8-Aminoquinaldine
분자식: C10H10N2
분자량: 158.2

이름 및 동의어

8-Aminoquinaldine18978-78-42-methylquinolin-8-amine8-Amino-2-methylquinoline8-Quinolinamine, 2-methyl-2-Methyl-8-aminoquinolineB50L4NE5JUNSC-7944QUINALDINE, 8-AMINO-DTXSID601723982-METHYL-8-QUINOLINEAMINEEC 606-190-7

이름 더 보기

AKOS AUF01701ASISCHEM C75211AKOS BBS-00001936IFLAB-BB F1716-0336TIMTEC-BB SBB0104018-AMINO-2-QUINALDINE8-Aminoquinaldine, 98%

NSC 7944(2-METHYLQUINOLIN-8-YL)AMINERefChem:475841DTXCID8094889606-190-72-Methyl-quinolin-8-ylamineMFCD000239982-methyl-8-quinolylamine

데이터베이스 식별자

CAS: 18978-78-4
PubChem CID: 140457
DTXSID: DTXSID60172398
ChEMBL: CHEMBL1717263
ChEBI: CHEBI:107285
UNII: B50L4NE5JU
EC Number: 606-190-7
Nikkaji: J82.817C

물성

구조 계산 물성

XLogP: 2
극성 표면적: 38.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 158

실험 및 물리화학적 성질

Solubility19 [ug/mL] (The mean of the results at pH 7.4)

Ionization Efficiency · 6건

Positive

3.42

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

물리화학적 성질

녹는점: 56 · 56-58°C
끓는 점: 316.6 · 316.6±27.0 °C(Predicted)
밀도: 1.169 · 1.169±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 1 · pK1: 4.86(+1) (25°C)
색상: White to Amber to Dark green
InChI: InChI=1S/C10H10N2/c1-7-5-6-8-3-2-4-9(11)10(8)12-7/h2-6H,11H2,1H3
InChIKey: JHIAOWGCGNMQKA-UHFFFAOYSA-N
SMILES: N1C2C(=CC=CC=2N)C=CC=1C
NIST: 8 · 8-Aminoquinaldine(18978-78-4)

화학적 성질

White to grey powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (93.7%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P270, P272, P273, P280, P301+P316, P302+P352, P321, P330, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 111 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 26-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/28195

Hazard Classes and CategoriesAcute Tox. 3 (93.7%)

안전 데이터

HS 번호: 29334900
risk_code: 20/21/22-41
hazard_code: Xi
safety_code: 22-36/37/39-39-26
위험 등급: IRRITANT

화학 및 산업

응용 분야

용도8-Aminoquinaldine serves as a precursor for synthesizing 8-(toluenesulphonamido)-quinaldine, 8-(di-(2-picolyl)amino)-quinaldine, and N,N'-Bis(2-methyl-8-quinolinyl)-1,2-ethanediamine[1][2].