1-(Furan-3-yl)methanamine

HCID 2776197CAS 4543-47-9

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Grundinformationen

Standard-SMILES: NCc1ccoc1
InChIKey: XNABHFLZYMCJHE-UHFFFAOYSA-N
Summenformel: C5H7NO
Durchschnittliche Molmasse: 97,12 g/mol
Monoisotopische Masse: 97,05276385

Namen und Bezeichner

Bevorzugter Name: 1-(Furan-3-yl)methanamine
IUPAC: furan-3-ylmethanamine
Englischer Name: 3-Furylmethylamine
Summenformel: C5H7NO
Molmasse: 97.12

Namen und Synonyme

1-(FURAN-3-YL)METHANAMINERefChem:427845800-812-2furan-3-ylmethanamine4543-47-93-FURYLMETHYLAMINE3-Furanmethanamine3-(Aminomethyl)furanMFCD02681983(furan-3-yl)methanamine3-furylmethanamine(Fur-3-yl)methylamine

Weitere Namen anzeigen

3-furanmethylamineRARECHEM AL BW 11821-furan-3-ylmethanamine

3-furfurylamine3-aminomethylfuran3-Furanmethylamine (8CI); 1-(Furan-3-yl)methanamine; 3-Aminomethylfuran; 3-Furfurylamine; Furan-3-ylmethanamine; [(Furan-3-yl)methyl]aminefuran-3-ylmethylamine3-Furylmethylamine, techSCHEMBL6565443-furylmethylamine, AldrichCPRorb3030355

Datenbank-Bezeichner

CAS: 4543-47-9
PubChem CID: 2776197
DTXSID: DTXSID20379881
EC Number: 800-812-2
Nikkaji: J2.662.764H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0
Polarare Oberfläche (TPSA): 39,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 7
Formalladung: 0
Komplexität: 56

Physikochemische Eigenschaften

Siedepunkt: 52 · 52-54°C 15mm
Dichte: 1.053 · 1.053±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
pka: 9.6 · 9.60±0.40(Predicted)
Aggregatzustand: Oil
Farbe: Yellow
InChI: InChI=1S/C5H7NO/c6-3-5-1-2-7-4-5/h1-2,4H,3,6H2
InChIKey: XNABHFLZYMCJHE-UHFFFAOYSA-N
SMILES: O1C=CC(CN)=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (93%): Toxic if swallowed [Danger Acute toxicity, oral]；H319 (90.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 4 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.