CAS 1010-95-3 5-Methyltryptamine hydrochloride (HCID 6917145)

名称と識別子

優先名称: 5-Methyltryptamine hydrochloride
IUPAC: 2-(5-methyl-1H-indol-3-yl)ethanamine;hydrochloride
現地名: 5-メチルトリプタミン塩酸塩
英語名: 5-Methyltryptamine hydrochloride
分子式: C11H15ClN2
分子量: 210.7

名称と別名

5-Methyltryptamine hydrochlorideRefChem:53690826346-40-71010-95-32-(5-methyl-1H-indol-3-yl)ethanamine hydrochloride55795-89-6MFCD000126833-(2-Aminoethyl)-5-methylindole hydrochloride2-(5-methyl-1H-indol-3-yl)ethan-1-amine hydrochloride1H-Indole-2-ethanamine,5-methyl-, hydrochloride (1:1)1H-Indole-3-ethanamine, 5-methyl-, hydrochloride (1:1)5-Methyl-1H-indole-3-ethylamine monohydrochloride

名称をさらに表示

5-メチル-1H-インドール-3-エタンアミン・塩酸塩TIMTEC-BB SBB0034405-Methyltryptamine hydrochl5-METHYLTRYPTAMNE HCL 98.0%MIN5-methy tryptamine hydrochloride5-Methyl-1H-indol-3-ethanamine HCl3-(2-AMINOETHYL)-5-METHYLINDOLE HCL5-Methyltryptamine hydrochloride (ab120591)5-Methyl-1H-Indole-3-ethanaMine Hydrochloride

2-(5-methyl-1H-indol-3-yl)ethanamine;hydrochloridehydron;2-(5-methyl-1H-indol-3-yl)ethanamine;chloride5-Methyltryptamine HCl2-(5-methylindol-3-yl)ethylamine, chloride[2-(5-methyl-1H-indol-3-yl)ethyl]amine hydrochloride5-Methyl-1H-Indole-3-ethanamine Hydrochloride; 3-(2-Aminoethyl)-5-methylindole Hydrochloride;EINECS 213-777-82-(5-Methyl-1H-indol-3-yl)ethylamine hydrochloride

データベース識別子

CAS: 1010-95-3
PubChem CID: 6917145
DTXSID: DTXSID40143627
ChEBI: CHEBI:229634
EC Number: 213-777-8

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: 169

物理化学的性質

融点: 290 · 290-292 °C
溶解性: DMSO (Slightly), Methanol (Slightly), Water (Slightly)
外見: Solid
色: Pale Beige to Light Tan
水溶解度: 2 O: · H2O: soluble 50mg/mL, clear, yellow
InChI: 1S/C11H14N2.ClH/c1-8-2-3-11-10(6-8)9(4-5-12)7-13-11;/h2-3,6-7,13H,4-5,12H2,1H3;1H
InChIKey: RBHDFGBPJGEYCK-UHFFFAOYSA-N
SMILES: Cl.Cc1ccc2[nH]cc(CCN)c2c1
CAS データベース: 1010 · 1010-95-3

化学的性質

化学的特性Light Tan Solid

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.；Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.；There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).；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 CategoriesSkin Irrit. 2 (50%)；Eye Irrit. 2A (50%)；STOT SE 3 (50%)

安全データ

F: 10
wgk: 3
ridadr: 2811
risk_code: 26/27/28
hazard_code: T+
safety_code: 22-24/25
hazard_class: 6.1
packing_group: Ⅲ
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 1 件

使用5-Methyltryptamine hydrochloride is a methylated derivative of tryptamine, it is a weak antagonist of 5-Hydroxytryptamine (H974990) with weak potency as stimulants of the cardiac sympathetic nerves. 5-Methyltryptamine hydrochloride is also used in the preparation of inhibitors of kinesin spindle protein (KSP), a promising class of anticancer agents.

調製方法 · 1 件

純化方法Recrystallise the hydrochloride from H2O. The free base has m 96-98o (from *C6H6/cyclohexane) or m 99-100o (from pet ether), and the picrate has m 243o(dec) (from EtOH). [Young J Chem Soc 3493 1958, Gaddum et al. Quart J Exp Physiol 40 49 1955, R.hm Hoppe Seyler's Z Physiol Chem 297 229 1954, Beilstein 22 III/IV 4364, 22/10 V 167.]