{4-[2-(dimethylamino)ethoxy]phenyl}methanol

• ChemBase ID: 92827
• Molecular Formular: C11H17NO2
• Molecular Mass: 195.25818
• Monoisotopic Mass: 195.12592879
• SMILES: OCc1ccc(cc1)OCCN(C)C
• Canonical SMILES: OCc1ccc(cc1)OCCN(C)C
• InChI: InChI=1S/C11H17NO2/c1-12(2)7-8-14-11-5-3-10(9-13)4-6-11/h3-6,13H,7-9H2,1-2H3
• InChIKey: YRIVJGAEWBORLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {4-[2-(dimethylamino)ethoxy]phenyl}methanol
• IUPAC Traditional name: {4-[2-(dimethylamino)ethoxy]phenyl}methanol
• Synonyms: {4-[2-(dimethylamino)ethoxy]phenyl}methanol; {4-[2-(Dimethylamino)ethoxy]phenyl}methanol 97%

Database IDs

• CAS Number: 131028-54-1
• MDL Number: MFCD08435911
• PubChem SID: 162079525
• PubChem CID: 10176517

CALCULATED PROPERTIES

• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 15.021047
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.0033798
• LogD (pH = 7.4): -0.3189543
• Log P: 1.0668693
• Molar Refractivity: 57.3562 cm^3
• Polarizability: 22.35209 Å^3

PROPERTIES

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 97%