2-(2-aminoethoxy)pyridine

• ChemBase ID: 289986
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: NCCOc1ncccc1
• Canonical SMILES: NCCOc1ccccn1
• InChI: InChI=1S/C7H10N2O/c8-4-6-10-7-3-1-2-5-9-7/h1-3,5H,4,6,8H2
• InChIKey: TUVONOFKFDJHBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminoethoxy)pyridine; 2-(pyridin-2-yloxy)ethan-1-amine
• IUPAC Traditional name: 2-(2-aminoethoxy)pyridine; 2-(pyridin-2-yloxy)ethanamine
• Synonyms: 2-(Pyridin-2-yloxy)ethanamine; 2-(2-AMINOETHOXY)PYRIDINE

Database IDs

• CAS Number: 29450-07-5
• PubChem SID: 180675517
• PubChem CID: 96890

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.5659575
• LogD (pH = 7.4): -1.4588002
• Log P: 0.39537585
• Molar Refractivity: 38.6276 cm^3
• Polarizability: 15.316842 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%