5-Chloro-1H-indole-3-ethylamine monohydrochloride

HCID 2827494

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基本情報

CAS: 55747-73-4
標準SMILES: Cl.NCCc1c[nH]c2ccc(Cl)cc12
InChIKey: PBANXRNIXGEHPZ-UHFFFAOYSA-N
分子式: C10H12Cl2N2
平均分子量: 231.12 g/mol
単同位体質量: 230.0377538

名称と識別子

優先名称: 5-Chloro-1H-indole-3-ethylamine monohydrochloride
IUPAC: 2-(5-chloro-1H-indol-3-yl)ethanamine;hydrochloride

名称と別名

EINECS 213-387-85-Chloro-1H-indole-3-ethylamine monohydrochloride1H-Indole-3-ethanamine, 5-chloro-, hydrochloride (1:1)RefChem:534328213-387-85-Chlorotryptamine Hydrochloride942-26-72-(5-chloro-1H-indol-3-yl)ethanamine hydrochloride2-(5-chloro-1H-indol-3-yl)ethanamine;hydrochloride55747-73-4MFCD000519905-Chloro-1H-indole-3-ethylamine hydrochloride

名称をさらに表示

1H-Indole-3-ethanamine, 5-chloro-, monohydrochloride5-Chloro-3-(2-aminoethyl)indole Hydrochloride5-Chloro-1H-indole-3-ethylamine HCl2-(5-chloro-1H-indol-3-yl)ethan-1-amine hydrochloride5-Chlorotryptamine HCl5-chlorotryptamine, hclEINECS 259-789-7BIM-0013443.P001

データベース識別子

CAS: 55747-73-4、942-26-7
PubChem CID: 2827494
DTXSID: DTXSID60971121
UNII: FD7RS43ALK
EC Number: 213-387-8、259-789-7

物性

構造計算による物性

極性表面積: 41.8 Å²
水素結合供与体数: 3
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 14
形式電荷: 0
複雑度: 174

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (88.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (88.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (77.8%): 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)

Aggregated GHS information provided per 9 reports by companies from 5 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.