1-メチル-1H-インダゾール-5-アミン

1-methyl-1H-indazol-5-amine

HCID 2768032CAS 50593-24-3

部分構造検索類似構造を探す

基本情報

標準SMILES: Cn1ncc2cc(N)ccc21
InChIKey: PYOFNPHTKBSXOM-UHFFFAOYSA-N
分子式: C8H9N3
平均分子量: 147.18 g/mol
単同位体質量: 147.07964729

名称と識別子

優先名称: 1-methyl-1H-indazol-5-amine
IUPAC: 1-methylindazol-5-amine
現地名: 1-メチル-1H-インダゾール-5-アミン
英語名: 1-Methyl-1H-indazol-5-amine
分子式: C8H9N3
分子量: 147.18

名称と別名

1-METHYL-1H-INDAZOL-5-AMINE50593-24-3DTXSID70377635RefChem:231490DTXCID30328663806-999-75-Amino-1-methyl-1H-indazole1-Methyl-1H-indazol-5-ylamine1-methylindazol-5-amineMFCD033054555-AMINO-1-METHYLINDAZOLECHEMBL1650263

名称をさらに表示

1-メチル-1H-インダゾール-5-アミン5-アミノ-1-メチル-1H-インダゾール1-methyl-5-indazolamine1-Methyl-5-amino-1H-indazole1-methyl-1H-indazole-5-amine5-AMino-1-Methyl-1H-indaz...

1H-INDAZOL-5-AMINE, 1-METHYL-1-methyl-5-aminoindazol1-methyl-5-aminoindazole5-amino-1-methyl-indazole1-methyl-indazol-5-ylamineSCHEMBL378619orb3181671SCHEMBL30006507

データベース識別子

CAS: 50593-24-3
PubChem CID: 2768032
DTXSID: DTXSID70377635
ChEMBL: CHEMBL1650263
EC Number: 806-999-7
Nikkaji: J661.384E

物性

構造計算による物性

XLogP: 0.9
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: 142 · 142-144°C
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: 結晶性粉末
酸解離定数(Pka): 3.85 · 3.85±0.10(Predicted)
色: 茶色

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

hs_code: 29339980
hazard_code: Xi
hazard_class: IRRITANT

化学と産業

応用分野 · 1 件

使用1-Methyl-5-amino-1H-indazole is used in preparation of Hydrazone compounds having (Hetero)aryl group at terminal Amine group for treating tau protein-associated disease. Also, used in preparation of Dihydroisoindole-1H-pyrazolo[3,4-d]pyrimidinone compounds as Wee1 inhibitors for treatment of kinase-related diseases.