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

• ChemBase ID: 75888
• Molecular Formular: C12H19NO2
• Molecular Mass: 209.28476
• Monoisotopic Mass: 209.14157885
• SMILES: O(c1cc(ccc1)CO)CCCN(C)C
• Canonical SMILES: OCc1cccc(c1)OCCCN(C)C
• InChI: InChI=1S/C12H19NO2/c1-13(2)7-4-8-15-12-6-3-5-11(9-12)10-14/h3,5-6,9,14H,4,7-8,10H2,1-2H3
• InChIKey: BABQTNDHVRVEJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 912569-56-3
• MDL Number: MFCD09064989
• PubChem SID: 162040806
• PubChem CID: 24229604

CALCULATED PROPERTIES

• Acid pKa: 14.940281
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1827693
• LogD (pH = 7.4): -0.72614354
• Log P: 1.126829
• Molar Refractivity: 62.2216 cm^3
• Polarizability: 24.195858 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%