3-(2-aminoethoxy)pyridine

• ChemBase ID: 273438
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: n1cc(OCCN)ccc1
• Canonical SMILES: NCCOc1cccnc1
• InChI: InChI=1S/C7H10N2O/c8-3-5-10-7-2-1-4-9-6-7/h1-2,4,6H,3,5,8H2
• InChIKey: WKMLARMIRUVDDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-aminoethoxy)pyridine; 2-(pyridin-3-yloxy)ethan-1-amine
• IUPAC Traditional name: 3-(2-aminoethoxy)pyridine; 2-(pyridin-3-yloxy)ethanamine
• Synonyms: 3-(2-aminoethoxy)pyridine; 2-(Pyridin-3-yloxy)ethanamine

Database IDs

• CAS Number: 310880-25-2
• MDL Number: MFCD12192564
• PubChem SID: 164329348
• PubChem CID: 9793793

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.2299502
• LogD (pH = 7.4): -2.0559692
• Log P: -0.19908169
• Molar Refractivity: 38.3141 cm^3
• Polarizability: 15.313923 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.266

Product Information

• Purity: 95%; 95+%; 97%