(2-ethoxypyridin-3-yl)methanamine

• ChemBase ID: 255079
• Molecular Formular: C8H12N2O
• Molecular Mass: 152.19368
• Monoisotopic Mass: 152.09496301
• SMILES: c1(c(CN)cccn1)OCC
• Canonical SMILES: CCOc1ncccc1CN
• InChI: InChI=1S/C8H12N2O/c1-2-11-8-7(6-9)4-3-5-10-8/h3-5H,2,6,9H2,1H3
• InChIKey: STCIIFCOOYREBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-ethoxypyridin-3-yl)methanamine
• IUPAC Traditional name: (2-ethoxypyridin-3-yl)methanamine
• Synonyms: 1-(2-ethoxy-3-pyridinyl)methanamine; (2-ethoxypyridin-3-yl)methylamine

Database IDs

• CAS Number: 851773-43-8
• MDL Number: MFCD09734870
• PubChem SID: 164310989
• PubChem CID: 16788102

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1028812
• LogD (pH = 7.4): -0.5723969
• Log P: 0.67493606
• Molar Refractivity: 43.8998 cm^3
• Polarizability: 17.154902 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.946

Product Information

• Purity: 95%