1-Methylhistamine dihydrochloride

HCID 11957601

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Grundinformationen

CAS: 6481-48-7
Standard-SMILES: Cl.Cl.Cn1cnc(CCN)c1
InChIKey: AGXVEALMQHTMSW-UHFFFAOYSA-N
Summenformel: C6H13Cl2N3
Durchschnittliche Molmasse: 198,09 g/mol
Monoisotopische Masse: 197,04865278

Überblick

See also: N-Methylhistamine dihydrochloride (annotation moved to).

Namen und Bezeichner

Bevorzugter Name: 1-Methylhistamine dihydrochloride
IUPAC: 2-(1-methylimidazol-4-yl)ethanamine;dihydrochloride
Englischer Name: 1-Methylhistamine dihydrochloride
Summenformel: C6H13Cl2N3
Molmasse: 198.09

Namen und Synonyme

1-Methylhistamine dihydrochlorideRefChem:434621636-353-86481-48-72-(1-Methyl-1H-imidazol-4-yl)ethanamine dihydrochlorideMFCD000370002-(1-methyl-1H-imidazol-4-yl)ethan-1-amine dihydrochloride2-(1-methylimidazol-4-yl)ethanamine;dihydrochloride1-METHYLHISTAMINE 2HCL2-(1-methylimidazol-4-yl)ethanamine dihydrochloride1-Methylhistamine (hydrochloride)1-Methylhistamine (dihydrochloride)

Weitere Namen anzeigen

TIMTEC-BB SBB0035611-Methylhistamine2HClTELE-METHYLHISTAMINE, HCL1-Methylhistamin-15N2 2HCl1-Methylhistamin-15N3 2HCl1-MethylhistaMine ditosylate1-Methyl histamine dichlorideTele-methylhistamine dihydrochloride

1-Methyl-4-(beta-aminoethyl)imidazole dihydrochloride1-Methyl-4-[beta-aminoethyl]imidazole dihydrochlorideN1-Methylhistamine dihydrochloride4-(2-Aminoethyl)-1-methyl-imidazole Dihydrochloride; 1-Methyl-1H-imidazole-4-ethanamine Dihydrochloride;Methylhistamine diHClEU-0100757orb1219329orb1298628

Datenbank-Bezeichner

CAS: 6481-48-7
PubChem CID: 11957601
DTXSID: DTXSID201017448
EC Number: 636-353-8

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 43,8 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 84,4

Physikochemische Eigenschaften

Schmelzpunkt: 198 °C · >198°C (dec.)
storage temp.: 2 · 2-8°C
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: powder
Farbe: Pale Yellow
Wasserlöslichkeit: 49 · water: 49.00-51.00mg/mL, clear, colorless to faintly yellow
Stabilität: Hygroscopic
InChI: InChI=1S/C6H11N3.2ClH/c1-9-4-6(2-3-7)8-5-9;;/h4-5H,2-3,7H2,1H3;2*1H
InChIKey: AGXVEALMQHTMSW-UHFFFAOYSA-N
SMILES: NCCC1N=CN(C)C=1.[H]Cl.[H]Cl

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 2933299090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 2 Einträge

Beschreibung1-Methylhistamine is a major metabolite of histamine by histamine N-methyltransferase in the pathway of histidine metabolism. It has been used as a biomarker of histaminergic system activity in the brains of Alzheimer’s disease patients as well as those with hypersomnia and other neurological conditions.

Verwenden1-Methylhistamine Dihydrochloride is a selective H1-receptor agonists. Also it has depressant effects.