2-(5-bromofuran-2-yl)ethan-1-amine hydrochloride

• ChemBase ID: 240572
• Molecular Formular: C6H9BrClNO
• Molecular Mass: 226.49876
• Monoisotopic Mass: 224.95560359
• SMILES: c1(oc(cc1)CCN)Br.Cl
• Canonical SMILES: NCCc1ccc(o1)Br.Cl
• InChI: InChI=1S/C6H8BrNO.ClH/c7-6-2-1-5(9-6)3-4-8;/h1-2H,3-4,8H2;1H
• InChIKey: GMTKZSAANBDPCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-bromofuran-2-yl)ethan-1-amine hydrochloride
• IUPAC Traditional name: 2-(5-bromofuran-2-yl)ethanamine hydrochloride
• Synonyms: 2-(5-bromofuran-2-yl)ethan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD22392170
• PubChem SID: 164296482
• PubChem CID: 71756583

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.296784
• LogD (pH = 7.4): -1.3359572
• Log P: 0.68832874
• Molar Refractivity: 39.1925 cm^3
• Polarizability: 15.289048 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.472

Product Information

• Purity: 95%