3-メチルシンノリン-5-アミン

3-Methylcinnolin-5-amine

HCID 5310645CAS 300690-74-8

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1cc2c(N)cccc2nn1
InChIKey: HOJQDQQMHMVETF-UHFFFAOYSA-N
分子式: C9H9N3
平均分子量: 159.19 g/mol
単同位体質量: 159.0796473

名称と識別子

優先名称: 3-Methylcinnolin-5-amine
IUPAC: 3-methylcinnolin-5-amine
現地名: 3-メチルシンノリン-5-アミン
英語名: 3-Methylcinnolin-5-amine
分子式: C9H9N3
分子量: 159.19

名称と別名

3-methylcinnolin-5-amine300690-74-8DTXSID70415485RefChem:281084DTXCID003663355-Cinnolinamine, 3-methyl-5-Amino-3-methylcinnoline3-methyl-5-cinnolinamineMFCD00466524MLS0001051933-Methyl-cinnolin-5-ylamineSMR000055122

名称をさらに表示

3-メチルシンノリン-5-アミン3‐メチルシンノリン‐5‐アミン5-アミノ-3-メチルシンノリンcinnoLin-5-amineCHEMBRDG-BB 52564043-methylcinnolin-5-amine(SALTDATA: FREE)[(5-Aminopentyl)oxy](tert-butyl)dimethylsilane[(5-Aminopentyl)oxy](tert-butyl)dimethylsilane - [A8909]

3-methylcinnoline-5-ylamineA1KEVMaybridge1_006688Cambridge id 5256404Oprea1_164420Oprea1_165495(3-methylcinnolin-5-yl)amineorb3029819

データベース識別子

CAS: 300690-74-8
PubChem CID: 5310645
DTXSID: DTXSID70415485
ChEMBL: CHEMBL1523317
EC Number: 803-544-4

物性

構造計算による物性

XLogP: 0.9
極性表面積: 51.8 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: 0
重原子数: 12
形式電荷: 0
複雑度: 160

物理化学的性質

融点: 189 · 189-191°C
沸点: 361.6 · 361.6±34.0 °C(Predicted)
比重(密度): 1.238 · 1.238±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 3.45 · 3.45±0.10(Predicted)
外見: solid
色: Very dark yellow

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.