6-메틸-퀴놀린-5-일라민

5-Amino-6-methylquinoline

HCID 3022182CAS 50358-35-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1ccc2ncccc2c1N
InChIKey: KQIDQFHIEFDWPM-UHFFFAOYSA-N
분자식: C10H10N2
평균 분자량: 158.2 g/mol
단동위원소 질량: 158.08439832

이름 및 식별자

우선 이름: 5-Amino-6-methylquinoline
IUPAC: 6-methylquinolin-5-amine
현지명: 6-메틸-퀴놀린-5-일라민
영어명: 6-METHYL-QUINOLIN-5-YLAMINE
분자식: C10H10N2
분자량: 158.2

이름 및 동의어

5-Amino-6-methylquinolineRefChem:532375624-463-96-methylquinolin-5-amine50358-35-56-Methyl-5-quinolinamine6-Methyl-quinolin-5-ylamine5-Quinolinamine, 6-methyl-MFCD00094194MLS000718961SCHEMBL33431506-methyl-5-quinolylamine

이름 더 보기

6-메틸-퀴놀린-5-일라민AKOS AUF01722AKOS BBS-00005361ASINEX-REAG BAS 098892306-methyl-5-quinolinylamine5-Amino-6-methylquinoline 97%

6-Methyl-5-aminoquinoline6-Methylquinolin-5-ylamine6-methyl-(quinolin-CHEMBL1569132DTXSID10388563KQIDQFHIEFDWPM-UHFFFAOYSA-N5-Amino-6-methylquinoline, 97%HMS2727A10

데이터베이스 식별자

CAS: 50358-35-5
PubChem CID: 3022182
DTXSID: DTXSID10388563
ChEMBL: CHEMBL1569132
EC Number: 624-463-9
Nikkaji: J89.546F

물성

구조 계산 물성

XLogP: 1.5
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

Solubility>23.7 [ug/mL] (The mean of the results at pH 7.4)

물리화학적 성질

녹는점: 133 · 133-137 °C
끓는 점: 326.2 · 326.2±27.0 °C(Predicted)
밀도: 1.169 · 1.169±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): 5.78 · 5.78±0.15(Predicted)
물리적 상태: solid
InChI: 1S/C10H10N2/c1-7-4-5-9-8(10(7)11)3-2-6-12-9/h2-6H,11H2,1H3
InChIKey: KQIDQFHIEFDWPM-UHFFFAOYSA-N
SMILES: Cc1ccc2ncccc2c1N

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (100%)

안전 데이터

wgk: 3
ridadr: UN 2811 6.1/PG 3
HS 번호: 2933499090
risk_code: 22-41
hazard_code: Xi,Xn
safety_code: 26
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1
스토리지 클래스: 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects