2-butyl-1-benzofuran-5-amine hydrochloride

• ChemBase ID: 163245
• Molecular Formular: C12H16ClNO
• Molecular Mass: 225.71454
• Monoisotopic Mass: 225.09204182
• SMILES: c1c(cc2c(c1)oc(c2)CCCC)N.Cl
• Canonical SMILES: CCCCc1cc2c(o1)ccc(c2)N.Cl
• InChI: InChI=1S/C12H15NO.ClH/c1-2-3-4-11-8-9-7-10(13)5-6-12(9)14-11;/h5-8H,2-4,13H2,1H3;1H
• InChIKey: IPNAECRFGLADHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-butyl-1-benzofuran-5-amine hydrochloride
• IUPAC Traditional name: 2-butyl-1-benzofuran-5-amine hydrochloride
• Synonyms: 2-Butyl-5-benzofuranamine Hydrochloride; 2-Butylbenzofuran-5-amine hydrochloride

Database IDs

• CAS Number: 526196-90-7
• MDL Number: MFCD18379241
• PubChem SID: 162257380
• PubChem CID: 9813310

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.9095263
• LogD (pH = 7.4): 2.9145992
• Log P: 2.9146643
• Molar Refractivity: 58.4752 cm^3
• Polarizability: 23.17348 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Methanol; Water
• Apperance: White Solid

Product Information

• Purity: 95+%

DETAILS

Toronto Research Chemicals - B690515

Dronedarone intermediate.