1-メチル-1H-インダゾール-6-アミン

1-methyl-1H-indazol-6-amine

HCID 840433CAS 74728-65-7

部分構造検索類似構造を探す

基本情報

標準SMILES: Cn1ncc2ccc(N)cc21
InChIKey: YTKNUPJYGSOVLV-UHFFFAOYSA-N
分子式: C8H9N3
平均分子量: 147.18 g/mol
単同位体質量: 147.0796473

名称と識別子

優先名称: 1-methyl-1H-indazol-6-amine
IUPAC: 1-methylindazol-6-amine
現地名: 1-メチル-1H-インダゾール-6-アミン
英語名: 1-METHYL-1H-INDAZOL-6-YLAMINE
分子式: C8H9N3
分子量: 147.18

名称と別名

1-methyl-1H-indazol-6-amine74728-65-7DTXSID20357028RefChem:76205DTXCID90308087640-711-91-Methyl-1H-indazol-6-ylamine1-methylindazol-6-amine6-Amino-1-methyl-1H-indazole6-AMINO-1-METHYLINDAZOLEMFCD00456076(1-Methyl-1H-indazol-6-yl)amine

名称をさらに表示

1-メチル-1H-インダゾール-6-アミン6-アミノ-1-メチル-1H-インダゾール6-AMino-1-Methyl-1H-indaz...1-Methyl-1H-indazole-6-ylamine

AKOS005071992PB21697SY0458611-Methyl-1H-indazol-6-ylamine, AldrichCPRF2147-1094Z4448715661H-INDAZOL-6-AMINE, 1-METHYL-1-methyl-1h-indazole-6-amine

データベース識別子

CAS: 74728-65-7
PubChem CID: 840433
DTXSID: DTXSID20357028
EC Number: 640-711-9
Nikkaji: J661.383G

物性

構造計算による物性

XLogP: 1.4
極性表面積: 43.8 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 148

物理化学的性質

融点: 172 · 172-173
沸点: 321.6 · 321.6±15.0 °C(Predicted)
比重(密度): 1.27 · 1.27±0.1 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: solid
酸解離定数(Pka): 3.65 · 3.65±0.10(Predicted)
色: Brown

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (66.7%): 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.