2-({[(2-hydroxyphenyl)methyl]amino}methyl)phenol

• ChemBase ID: 171558
• Molecular Formular: C14H15NO2
• Molecular Mass: 229.2744
• Monoisotopic Mass: 229.11027873
• SMILES: c1cccc(c1O)CNCc1ccccc1O
• Canonical SMILES: Oc1ccccc1CNCc1ccccc1O
• InChI: InChI=1S/C14H15NO2/c16-13-7-3-1-5-11(13)9-15-10-12-6-2-4-8-14(12)17/h1-8,15-17H,9-10H2
• InChIKey: ARMZYJYJGIRLRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({[(2-hydroxyphenyl)methyl]amino}methyl)phenol
• IUPAC Traditional name: 2-({[(2-hydroxyphenyl)methyl]amino}methyl)phenol
• Synonyms: α,α'-Iminodi-o-Cresol; 2,2'-Dihydroxydibenzylamine; Bis(2-hydroxybenzyl)amine; Bis(o-hydroxybenzylamine); NSC 119557; NSC 26194; NSC 407941; 2,2'-[Iminobis(methylene)]bisphenol

Database IDs

• CAS Number: 4481-51-0
• PubChem SID: 164227468
• PubChem CID: 230856

CALCULATED PROPERTIES

• Acid pKa: 8.026543
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.44505212
• LogD (pH = 7.4): 0.8363609
• Log P: 1.1893272
• Molar Refractivity: 67.8804 cm^3
• Polarizability: 26.344309 Å^3
• Polar Surface Area: 52.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol (Sparingly)
• Apperance: Beige Solid
• Melting Point: 163-165°C

Safety Information

• Storage Condition: Refrigerator