2-(2-aminoethoxy)-4-chloropyridine

• ChemBase ID: 246042
• Molecular Formular: C7H9ClN2O
• Molecular Mass: 172.61216
• Monoisotopic Mass: 172.0403406
• SMILES: c1c(nccc1Cl)OCCN
• Canonical SMILES: NCCOc1cc(Cl)ccn1
• InChI: InChI=1S/C7H9ClN2O/c8-6-1-3-10-7(5-6)11-4-2-9/h1,3,5H,2,4,9H2
• InChIKey: LCIWEWNYGUFCHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminoethoxy)-4-chloropyridine; 2-[(4-chloropyridin-2-yl)oxy]ethan-1-amine
• IUPAC Traditional name: 2-(2-aminoethoxy)-4-chloropyridine; 2-[(4-chloropyridin-2-yl)oxy]ethanamine
• Synonyms: 2-(2-aminoethoxy)-4-chloropyridine; 2-((4-Chloropyridin-2-yl)oxy)ethanaMine

Database IDs

• CAS Number: 1346708-15-3
• MDL Number: MFCD19688768
• PubChem SID: 164301952
• PubChem CID: 71302213

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9618855
• LogD (pH = 7.4): -0.854755
• Log P: 0.9994205
• Molar Refractivity: 43.4324 cm^3
• Polarizability: 17.21464 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.42

Product Information

• Purity: 95%; 97%