1-(4-Amino-2-methylquinolin-3-yl)ethanone

HCID 672297

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 71993-15-2
標準SMILES: CC(=O)c1c(C)nc2ccccc2c1N
InChIKey: YFGFFNPPTDOYLI-UHFFFAOYSA-N
分子式: C12H12N2O
平均分子量: 200.24 g/mol
単同位体質量: 200.09496301

名称と識別子

優先名称: 1-(4-Amino-2-methylquinolin-3-yl)ethanone
IUPAC: 1-(4-amino-2-methylquinolin-3-yl)ethanone
英語名: 1-(4-AMINO-2-METHYLQUINOLIN-3-YL)ETHANONE
分子式: C12H12N2O
分子量: 200.24

名称と別名

1-(4-amino-2-methylquinolin-3-yl)ethanone71993-15-2DTXSID40350051RefChem:224776DTXCID603011211-(4-amino-2-methylquinolin-3-yl)ethan-1-oneCHEMBL15312571-(4-amino-2-methyl-3-quinolyl)ethanone1-(4-amino-2-methyl-3-quinolinyl)ethanoneSMR000079846MLS000066220MLS005940053

名称をさらに表示

Ethanone,1-(4-aMino-2-Methyl-3-quinolinyl)-1-(4-amino-2-methylquinolin-3-yl)ethan-1-one - [A93168]

SCHEMBL6654332CHEBI:111296HMS2303A08HMS5173G193-acetyl-4-amino-2-methylquinolineBDBM50110699EBC-06546MFCD04220752

データベース識別子

CAS: 71993-15-2
PubChem CID: 672297
DTXSID: DTXSID40350051
ChEMBL: CHEMBL1531257
ChEBI: CHEBI:111296
EC Number: 979-599-4

物性

構造計算による物性

XLogP: 2.1
極性表面積: 56 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 15
形式電荷: 0
複雑度: 254

物理化学的性質

融点: 151 · 151-153 °C(Solv: benzene (71-43-2))
沸点: 369.3 · 369.3±37.0 °C(Predicted)
比重(密度): 1.2 · 1.200±0.06 g/cm3(Predicted)
酸解離定数(Pka): 7.68 · 7.68±0.50(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.