[2-(oxolan-3-yloxy)pyridin-4-yl]methanamine

• ChemBase ID: 245255
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: c1(nccc(c1)CN)OC1CCOC1
• Canonical SMILES: NCc1ccnc(c1)OC1COCC1
• InChI: InChI=1S/C10H14N2O2/c11-6-8-1-3-12-10(5-8)14-9-2-4-13-7-9/h1,3,5,9H,2,4,6-7,11H2
• InChIKey: GVQQUBYWNCZJSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(oxolan-3-yloxy)pyridin-4-yl]methanamine
• IUPAC Traditional name: [2-(oxolan-3-yloxy)pyridin-4-yl]methanamine
• Synonyms: [2-(oxolan-3-yloxy)pyridin-4-yl]methanamine

Database IDs

• MDL Number: MFCD18261341
• PubChem SID: 164301165
• PubChem CID: 63559022

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.7286801
• LogD (pH = 7.4): -1.5602703
• Log P: 0.21935445
• Molar Refractivity: 52.7613 cm^3
• Polarizability: 20.806366 Å^3
• Polar Surface Area: 57.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.163

Product Information

• Purity: 95%