(5-phenylfuran-2-yl)methanamine hydrochloride

• ChemBase ID: 271058
• Molecular Formular: C11H12ClNO
• Molecular Mass: 209.67208
• Monoisotopic Mass: 209.06074169
• SMILES: c1(oc(cc1)CN)c1ccccc1.Cl
• Canonical SMILES: NCc1ccc(o1)c1ccccc1.Cl
• InChI: InChI=1S/C11H11NO.ClH/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9;/h1-7H,8,12H2;1H
• InChIKey: GLYBBXUKRBICOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-phenylfuran-2-yl)methanamine hydrochloride
• IUPAC Traditional name: (5-phenylfuran-2-yl)methanamine hydrochloride
• Synonyms: (5-phenylfuran-2-yl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD17977058
• PubChem SID: 164326968
• PubChem CID: 50988703

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.71953684
• LogD (pH = 7.4): 0.9705195
• Log P: 1.7264874
• Molar Refractivity: 51.936 cm^3
• Polarizability: 21.586153 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 214 - 216°C
• Hydrophobicity(logP): 2.368

Product Information

• Purity: 95%