{4-[3-(dimethylamino)propoxy]phenyl}methanol

• ChemBase ID: 75889
• Molecular Formular: C12H19NO2
• Molecular Mass: 209.28476
• Monoisotopic Mass: 209.14157885
• SMILES: O(c1ccc(cc1)CO)CCCN(C)C
• Canonical SMILES: OCc1ccc(cc1)OCCCN(C)C
• InChI: InChI=1S/C12H19NO2/c1-13(2)8-3-9-15-12-6-4-11(10-14)5-7-12/h4-7,14H,3,8-10H2,1-2H3
• InChIKey: ZLCIFBOMXUAJPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {4-[3-(dimethylamino)propoxy]phenyl}methanol
• IUPAC Traditional name: {4-[3-(dimethylamino)propoxy]phenyl}methanol
• Synonyms: {4-[3-(dimethylamino)propoxy]phenyl}methanol; {4-[3-(Dimethylamino)propoxy]phenyl}methanol; 4-[3-(Dimethylamino)propoxy]benzyl alcohol 97%

Database IDs

• CAS Number: 426831-08-5
• MDL Number: MFCD06202771
• PubChem SID: 162040807
• PubChem CID: 9920748

CALCULATED PROPERTIES

• Acid pKa: 15.021549
• 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: 24.195818 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%