2,2-diethoxy-2-(pyridin-2-yl)ethan-1-amine

• ChemBase ID: 247199
• Molecular Formular: C11H18N2O2
• Molecular Mass: 210.27282
• Monoisotopic Mass: 210.13682783
• SMILES: C(c1ncccc1)(OCC)(OCC)CN
• Canonical SMILES: CCOC(c1ccccn1)(OCC)CN
• InChI: InChI=1S/C11H18N2O2/c1-3-14-11(9-12,15-4-2)10-7-5-6-8-13-10/h5-8H,3-4,9,12H2,1-2H3
• InChIKey: MTSYSCPESIOASP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-diethoxy-2-(pyridin-2-yl)ethan-1-amine
• IUPAC Traditional name: 2,2-diethoxy-2-(pyridin-2-yl)ethanamine
• Synonyms: 2,2-diethoxy-2-(pyridin-2-yl)ethan-1-amine

Database IDs

• PubChem SID: 164303109
• PubChem CID: 12746633

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.0178759
• LogD (pH = 7.4): 0.66985637
• Log P: 1.4470421
• Molar Refractivity: 58.4319 cm^3
• Polarizability: 23.37949 Å^3
• Polar Surface Area: 57.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.232

Product Information

• Purity: 95%