(2-methylfuran-3-yl)methanamine hydrochloride

• ChemBase ID: 262648
• Molecular Formular: C6H10ClNO
• Molecular Mass: 147.6027
• Monoisotopic Mass: 147.04509163
• SMILES: c1(c(occ1)C)CN.Cl
• Canonical SMILES: Cc1occc1CN.Cl
• InChI: InChI=1S/C6H9NO.ClH/c1-5-6(4-7)2-3-8-5;/h2-3H,4,7H2,1H3;1H
• InChIKey: JYKQXGWVIIPLFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methylfuran-3-yl)methanamine hydrochloride
• IUPAC Traditional name: (2-methylfuran-3-yl)methanamine hydrochloride
• Synonyms: (2-methylfuran-3-yl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD12913212
• PubChem SID: 164318558
• PubChem CID: 45792122

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.4474745
• LogD (pH = 7.4): -1.0885684
• Log P: 0.4388211
• Molar Refractivity: 32.1945 cm^3
• Polarizability: 12.31879 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 222 - 224°C
• Hydrophobicity(logP): 0.719

Product Information

• Purity: 95%