Grundinformationen
- Standard-SMILES
NCc1ccc2occc2c1- InChIKey
OFMIMSPBHXZKRI-UHFFFAOYSA-N- Summenformel
- C9H9NO
- Durchschnittliche Molmasse
- 147,17 g/mol
- Monoisotopische Masse
- 147,06841391
Namen und Bezeichner
- Bevorzugter Name
- 1-Benzofuran-5-ylmethylamine
- IUPAC
- 1-benzofuran-5-ylmethanamine
- Englischer Name
- 1-BENZOFURAN-5-YLMETHYLAMINE
- Summenformel
- C9H9NO
- Molmasse
- 147.17
Namen und Synonyme
37798-08-61-Benzofuran-5-ylmethylamineBenzofuran-5-ylmethanamine5-(Aminomethyl)benzofuran1-benzofuran-5-ylmethanamine5-(Aminomethyl)benzo[b]furanMFCD04974039(1-benzofuran-5-yl)methanamine1-(1-Benzofuran-5-yl)methanamineSDCCGMLS-0065942.P001benzo[b]furan-5-ylmethylaminec-benzofuran-5-yl-methylamine
Weitere Namen anzeigen
Compound Fr140735-benzofuranylmethanamine(BENZO[B]FURAN-5-YL)METHYLAMINE5-(Aminomethyl)benzo[b]furan 97%
SCHEMBL111709orb3170166SCHEMBL5718336CHEMBL4555015SCHEMBL31164857DTXSID20383569OFMIMSPBHXZKRI-UHFFFAOYSA-N5-(Aminomethyl)benzo[b]furan97%
Datenbank-Bezeichner
- CAS
37798-08-6- PubChem CID
- 2795182
- DTXSID
DTXSID20383569- ChEMBL
CHEMBL4555015
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,2
- Polarare Oberfläche (TPSA)
- 39,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 138
Physikochemische Eigenschaften
- Schmelzpunkt
- 32 · 32-34°C
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- solid
- Farbe
- Low-melting
- InChI
- 1S/C9H9NO/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5H,6,10H2
- InChIKey
- OFMIMSPBHXZKRI-UHFFFAOYSA-N
- SMILES
- NCc1ccc2occc2c1
Sicherheit und Regulatorisches
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 2932990090
- risk_code
- 34-36
- hazard_code
- C,Xi
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39-45
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2
Chemie und Industrie
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