{2-[3-(dimethylamino)propoxy]phenyl}methanol

• ChemBase ID: 75891
• Molecular Formular: C12H19NO2
• Molecular Mass: 209.28476
• Monoisotopic Mass: 209.14157885
• SMILES: O(c1c(cccc1)CO)CCCN(C)C
• Canonical SMILES: OCc1ccccc1OCCCN(C)C
• InChI: InChI=1S/C12H19NO2/c1-13(2)8-5-9-15-12-7-4-3-6-11(12)10-14/h3-4,6-7,14H,5,8-10H2,1-2H3
• InChIKey: KEQGOXOOPXJVFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[3-(dimethylamino)propoxy]phenyl}methanol
• IUPAC Traditional name: {2-[3-(dimethylamino)propoxy]phenyl}methanol
• Synonyms: {2-[3-(dimethylamino)propoxy]phenyl}methanol; {2-[3-(Dimethylamino)propoxy]phenyl}methanol; 2-[3-(Dimethylamino)propoxy]benzyl alcohol 97%

Database IDs

• CAS Number: 14573-97-8
• MDL Number: MFCD09064995
• PubChem SID: 162040809
• PubChem CID: 23401802

CALCULATED PROPERTIES

• Acid pKa: 14.706396
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.182769
• LogD (pH = 7.4): -0.7261435
• Log P: 1.126829
• Molar Refractivity: 62.2216 cm^3
• Polarizability: 24.196135 Å^3
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 97%