5-Methyl-1H-indol-3-ethylaminmonohydrochlorid

5-Methyltryptamine hydrochloride

HCID 6917145CAS 1010-95-3

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Grundinformationen

Standard-SMILES: Cc1ccc2[nH]cc(CCN)c2c1.Cl
InChIKey: RBHDFGBPJGEYCK-UHFFFAOYSA-N
Summenformel: C11H15ClN2
Durchschnittliche Molmasse: 210,7 g/mol
Monoisotopische Masse: 210,0923762

Namen und Bezeichner

Bevorzugter Name: 5-Methyltryptamine hydrochloride
IUPAC: 2-(5-methyl-1H-indol-3-yl)ethanamine;hydrochloride
Lokaler Name: 5-Methyl-1H-indol-3-ethylaminmonohydrochlorid
Englischer Name: 5-Methyltryptamine hydrochloride
Summenformel: C11H15ClN2
Molmasse: 210.7

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 41,8 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 169

Physikochemische Eigenschaften

Schmelzpunkt: 290 · 290-292 °C
Löslichkeit: DMSO (Slightly), Methanol (Slightly), Water (Slightly)
Aggregatzustand: Solid
Farbe: Pale Beige to Light Tan
Wasserlöslichkeit: 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 Datenbank: 1010 · 1010-95-3

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (50%)；Eye Irrit. 2A (50%)；STOT SE 3 (50%)

Sicherheitsdaten

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
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden5-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.