1-Methylhistamine

HCID 3614CAS 501-75-7

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Grundinformationen

Standard-SMILES: Cn1cnc(CCN)c1
InChIKey: FHQDWPCFSJMNCT-UHFFFAOYSA-N
Summenformel: C6H11N3
Durchschnittliche Molmasse: 125,17 g/mol
Monoisotopische Masse: 125,09529735

Überblick

N(tele)-methylhistamine is a primary amino compound that is the N-methyl derivative of histamine. It has a role as a mouse metabolite and a human metabolite. It is a member of imidazoles and a primary amino compound. It is functionally related to a histamine. It is a conjugate base of a N(tele)-methylhistaminium.

Namen und Bezeichner

Bevorzugter Name: 1-Methylhistamine
IUPAC: 2-(1-methylimidazol-4-yl)ethanamine
Englischer Name: 2-(1-methylimidazol-4-yl)ethanamine
Summenformel: C6H11N3
Molmasse: 125.17

Namen und Synonyme

1-Methylhistamine501-75-7Tele-methylhistamineN1-Methylhistamine2-(1-methylimidazol-4-yl)ethanamine1-Methyl-1H-imidazole-4-ethanamine1H-Imidazole-4-ethanamine, 1-methyl-KCB81T4EOFDTXSID30198207NSC-667361,4-methylhistamineN-tele methylhistamine

Weitere Namen anzeigen

Ntau-methylhistamineN(T)-methylhistamineN(tele)-methylhistamine1-methyl-4-(2-aminoethyl)imidazole1H-Imidazole-4-ethanamine,1-methyl2-(1-MethyliMidazole-4-yl)ethanaMine

RefChem:891309DTXCID20120698DTXCID501401624-(2-Methylaminoethyl)imidazoleDTXSID00217671Imidazole, 4-(2-(methylamino)ethyl)-N-MethylhistamineY7QR253130

Datenbank-Bezeichner

CAS: 501-75-7
PubChem CID: 3614
DTXSID: DTXSID30198207
ChEMBL: CHEMBL507
ChEBI: CHEBI:29009
UNII: KCB81T4EOF
EC Number: 838-453-9
Nikkaji: J86.801I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,6
Polarare Oberfläche (TPSA): 43,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 9
Formalladung: 0
Komplexität: 84,4

Experimentelle und physikochemische Eigenschaften

Physical DescriptionSolid

Collision Cross Section · 3 Einträge

121.3 Å² [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

122.56 Å² [M+H]+ [CCS Type: DT; Method: stepped-field]

121.8 Å² [M+H]+

Physikochemische Eigenschaften

Siedepunkt: 296.7 · 296.7±15.0 °C(Predicted)
Dichte: 1.11 · 1.11±0.1 g/cm3(Predicted)
storage temp.: -20 °C · Store at -20°C
Löslichkeit: Soluble in DMSO
pka: 9.27 · 9.27±0.10(Predicted)
Aggregatzustand: Liquid
Farbe: Light yellow to yellow

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P233, P260, P261, P264, P271, P272, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P333+P317, P342+P316, P362+P364, P363, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Sicherheitsdaten

Alarmwort: Achtung
Gefahrenhinweise: Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H314

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological ClassificationCompounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

Tissue LocationsBone Marrow

Cellular LocationsCytoplasm

Metabolite PathwaysHistidine metabolism

Anwendungen

Verwenden2-(1-methyl-1H-imidazol-4-yl)ethan-1-amine (cas# 501-75-7) is used in high fiber diets, promoting gluconeogenesis and inhibit glycolysis in muscle.