[(2-bromofuran-3-yl)methyl](methyl)amine hydrochloride

• ChemBase ID: 77450
• Molecular Formular: C6H9BrClNO
• Molecular Mass: 226.49876
• Monoisotopic Mass: 224.95560359
• SMILES: o1c(c(cc1)CNC)Br.Cl
• Canonical SMILES: CNCc1ccoc1Br.Cl
• InChI: InChI=1S/C6H8BrNO.ClH/c1-8-4-5-2-3-9-6(5)7;/h2-3,8H,4H2,1H3;1H
• InChIKey: GYLBKUAMHLATCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-bromofuran-3-yl)methyl](methyl)amine hydrochloride
• IUPAC Traditional name: [(2-bromofuran-3-yl)methyl](methyl)amine hydrochloride
• Synonyms: N-methyl-(2-bromo-3-furyl)methylamine hydrochloride; 2-Bromo-3-[(methylamino)methyl]furan hydrochloride 97%

Database IDs

• CAS Number: 926921-76-8
• MDL Number: MFCD09879945
• PubChem SID: 162042322
• PubChem CID: 24229719

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.4020332
• LogD (pH = 7.4): 0.33086264
• Log P: 1.1409483
• Molar Refractivity: 39.2242 cm^3
• Polarizability: 15.354565 Å^3
• Polar Surface Area: 25.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 156.5-158.5°C

Safety Information

• Storage Warning: Harmful

Product Information

• Purity: 97%