2-メチル-2H-インダゾール-6-アミン

2-Methyl-2H-indazol-6-amine

HCID 590220CAS 50593-30-1

部分構造検索類似構造を探す

基本情報

標準SMILES: Cn1cc2ccc(N)cc2n1
InChIKey: MHCWLERQNFATHZ-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: 2-Methyl-2H-indazol-6-amine
IUPAC: 2-methylindazol-6-amine
現地名: 2-メチル-2H-インダゾール-6-アミン
英語名: 6-Amino-2-methyl-2H-indazole
分子式: C8H9N3
分子量: 147.18

名称と別名

2-Methyl-2H-indazol-6-amine50593-30-1DTXSID10343516RefChem:475253DTXCID70294595640-917-96-Amino-2-methyl-2H-indazole2-methylindazol-6-amineMFCD004648662-Methyl-2H-indazol-6-ylamineMLS0006876216-AMINO-2-METHYLINDAZOLE

名称をさらに表示

2-メチル-2H-インダゾール-6-アミン6-アミノ-2-メチル-2H-インダゾール2-Methyl-2H-indazole-6-amine6-aMine-2-Methyl-2H-indazole6-Amino-2-methyl-2H-indaz...2H-Indazol-6-amine, 2-methyl-6-AMINO-2-METHYLBENZO[C]PYRAZOLE

2-methyl-6-indazolamine6-amino-2-methyl-indazoleOprea1_680225Oprea1_807157cid_590220SCHEMBL1489105HMS1675M16SMR000283391

データベース識別子

CAS: 50593-30-1
PubChem CID: 590220
DTXSID: DTXSID10343516
ChEMBL: CHEMBL1421438
EC Number: 640-917-9
Nikkaji: J2.394.961J

物性

構造計算による物性

XLogP: 1.3
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

実験および物理化学的性質

Solubility<0.1 [ug/mL] (The mean of the results at pH 7.4)

物理化学的性質

融点: 148 · 148-150
沸点: 354.8 · 354.8±15.0 °C(Predicted)
比重(密度): 1.27 · 1.27±0.1 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
酸解離定数(Pka): 3.31 · 3.31±0.10(Predicted)
外見: 結晶性粉末
色: 黄色から緑色
InChI: InChI=1S/C8H9N3/c1-11-5-6-2-3-7(9)4-8(6)10-11/h2-5H,9H2,1H3
InChIKey: MHCWLERQNFATHZ-UHFFFAOYSA-N
SMILES: N1=C2C(C=CC(N)=C2)=CN1C

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]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, 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.；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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

安全データ

hs_code: 29339980
hazard_code: Xi
hazard_class: IRRITANT

化学と産業

応用分野

使用2-Methyl-2H-indazol-6-ylamine is a research chemical that can be used as a pharmaceutical intermediate.

上流・下流製品情報

上流原料

6-ニトロインダゾール 1-メチル-1H-インダゾール-6-アミン 2-メチル-6-ニトロ-2H-インダゾールジメチル硫酸ヨードメタン活性炭素エタノール水素パラジウム

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毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]