4-[(methylamino)methyl]phenol

• ChemBase ID: 285835
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: c1(ccc(cc1)CNC)O
• Canonical SMILES: CNCc1ccc(cc1)O
• InChI: InChI=1S/C8H11NO/c1-9-6-7-2-4-8(10)5-3-7/h2-5,9-10H,6H2,1H3
• InChIKey: AMKMYXVFAOJGGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(methylamino)methyl]phenol
• IUPAC Traditional name: 4-[(methylamino)methyl]phenol
• Synonyms: 4-[(methylamino)methyl]phenol

Database IDs

• MDL Number: MFCD09046544
• PubChem SID: 180671366
• PubChem CID: 13104924

CALCULATED PROPERTIES

• Acid pKa: 9.041959
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.9491836
• LogD (pH = 7.4): -0.8835924
• Log P: 0.4422831
• Molar Refractivity: 41.2869 cm^3
• Polarizability: 16.146841 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 103 - 105°C
• Hydrophobicity(logP): 0.843

Product Information

• Purity: 95%