2-(5-Methylfuran-2-yl)ethan-1-amine

HCID 14933778CAS 30796-85-1

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Grundinformationen

Standard-SMILES: Cc1ccc(CCN)o1
InChIKey: KOFWQYALAZVVGL-UHFFFAOYSA-N
Summenformel: C7H11NO
Durchschnittliche Molmasse: 125,17 g/mol
Monoisotopische Masse: 125,08406397

Namen und Bezeichner

Bevorzugter Name: 2-(5-Methylfuran-2-yl)ethan-1-amine
IUPAC: 2-(5-methylfuran-2-yl)ethanamine
Englischer Name: 2-(5-methyl-2-furyl)ethanamine
Summenformel: C7H11NO
Molmasse: 125.17

Namen und Synonyme

30796-85-12-(5-Methylfuran-2-yl)ethan-1-amine5-Methyl-2-furanethanamineDTXSID20565686RefChem:458955DTXCID30516462803-413-12-(5-methyl-2-furyl)ethanamine2-(5-Methylfuran-2-yl)ethanamineMFCD080597672-Furanethanamine, 5-methyl-5-Methyl-2-furanethanamine; 2-(5-Methylfuran-2-yl)ethan-1-amine; 2-(5-Methylfuran-2-yl)ethanamine; 2-(5-Methylfuran-2-yl)ethylamine; beta-(5-Methyl-2-furanyl)ethanamine;

Weitere Namen anzeigen

AKOS ISYA011612-(5-methyl-2-furyl)ethanamine(SALTDATA: FREE)

2-methyl-5-aminoethylfuranSCHEMBL1868584KOFWQYALAZVVGL-UHFFFAOYSA-N2-(5-Methylfuran-2-yl)ethylamineFBA79685beta-(5-methyl-2-furanyl)ethanamine2-(5-Methyl-furan-2-yl)-ethylamineAKOS000154866

Datenbank-Bezeichner

CAS: 30796-85-1
PubChem CID: 14933778
DTXSID: DTXSID20565686
EC Number: 803-413-1

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 39,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 9
Formalladung: 0
Komplexität: 85

Physikochemische Eigenschaften

storage temp.: Refrigerator, Under inert atmosphere
Löslichkeit: Chloroform (Sparingly), Methanol (Slightly)
Aggregatzustand: Oil
Farbe: Light Yellow to Yellow

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (95%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (95%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 (95%)；Eye Irrit. 2 (95%)；STOT SE 3 (100%)

Sicherheitsdaten

hs_code: 2932190090

Chemie und Industrie

Anwendungen

Verwenden2-(5-Methyl-2-furyl)ethanamine can be used as diarylurea-based cannabinoid 1 receptor (CB1R) allosteric modulators with improved potencies and pharmacokinetic properties.