alpha-Methyl-1H-imidazole-5-ethanamine
Grundinformationen
- CAS
6986-90-9- Standard-SMILES
CC(N)Cc1cnc[nH]1- InChIKey
XNQIOISZPFVUFG-UHFFFAOYSA-N- Summenformel
- C6H11N3
- Durchschnittliche Molmasse
- 125,17 g/mol
- Monoisotopische Masse
- 125,09529735
Überblick
Alpha-methylhistamine is an aralkylamino compound that is histamine bearing a methyl substituent at the alpha-position. It has a role as a H3-receptor agonist and an animal metabolite. It is a member of imidazoles and an aralkylamino compound. It is functionally related to a histamine.
Namen und Bezeichner
- Bevorzugter Name
- alpha-Methyl-1H-imidazole-5-ethanamine
- IUPAC
- 1-(1H-imidazol-5-yl)propan-2-amine
- Englischer Name
- 2-(1H-Imidazol-4-yl)-1-methyl-ethylamine 2HCl
- Summenformel
- C6H11N3
- Molmasse
- 125.17
Namen und Synonyme
alpha-Methylhistamine6986-90-9CHEBI:74759RefChem:915547alpha-Methyl-1H-imidazole-5-ethanamine1-(1h-imidazol-4-yl)propan-2-amine1-(1h-imidazol-5-yl)propan-2-amine2-(1H-Imidazol-4-yl)-1-methyl-ethylamineDTXSID80990132XNQIOISZPFVUFG-UHFFFAOYSA-N.alpha.-Methylhistamine1H-Imidazole-4-ethanamine, alpha-methyl-
Weitere Namen anzeigen
4-(2-aminopropyl)-imidazoleα-Methyl-1H-imidazole-4-ethanamine2-(1H-Imidazol-4-yl)-1-methyl-ethylamine 2HCl
1H-Imidazole-4-ethanamine, .alpha.-methyl-4-(2-Aminopropyl)imidazoleSCHEMBL396350CHEMBL116655SCHEMBL8944525NIOSH/NI3506300SCHEMBL12328968SCHEMBL27786929
Datenbank-Bezeichner
- CAS
6986-90-9- PubChem CID
- 3615
- DTXSID
DTXSID80990132- ChEMBL
CHEMBL116655
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,3
- Polarare Oberfläche (TPSA)
- 54,7 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 84,4
Physikochemische Eigenschaften
- Siedepunkt
- 182 °C · 182 °C(Press: 4 Torr)
- Dichte
- 1.094 · 1.094±0.06 g/cm3(Predicted)
- pka
- 14.5 · 14.50±0.10(Predicted)
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationDrugs that bind to and activate histamine receptors. Although they have been suggested for a variety of clinical applications histamine agonists have so far been more widely used in research than therapeutically.
Anbieter3 Anbieter
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 13651849907 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Ergänzende Hinweise
DefinitionChEBI: An aralkylamino compound that is histamine bearing a methyl substituent at the alpha-position.
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