2-(1-benzofuran-3-yl)ethan-1-amine

• ChemBase ID: 92483
• Molecular Formular: C10H11NO
• Molecular Mass: 161.20044
• Monoisotopic Mass: 161.08406398
• SMILES: o1cc(c2c1cccc2)CCN
• Canonical SMILES: NCCc1coc2c1cccc2
• InChI: InChI=1S/C10H11NO/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7H,5-6,11H2
• InChIKey: NEHYFMQXSNIAMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-benzofuran-3-yl)ethan-1-amine
• IUPAC Traditional name: 2-(1-benzofuran-3-yl)ethanamine
• Synonyms: 2-(Benzofuran-3-yl)ethanamine; 2-benzo[b]furan-3-ylethylamine; 2-(1-Benzofuran-3-yl)ethylamine; 2-(Benzo[b]furan-3-yl)ethylamine; 3-(Aminoethyl)-1-benzofuran; 3-(Aminoethyl)benzo[b]furan 97%

Database IDs

• CAS Number: 27404-31-5
• MDL Number: MFCD08271905
• PubChem SID: 162079181
• PubChem CID: 12420812

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.4510189
• LogD (pH = 7.4): -0.60068774
• Log P: 1.5467988
• Molar Refractivity: 48.1275 cm^3
• Polarizability: 19.890474 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Harmful

Product Information

• Purity: 95+%; 97%; 98%