6-ethoxypyridin-2-amine

• ChemBase ID: 282353
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: n1c(N)cccc1OCC
• Canonical SMILES: CCOc1cccc(n1)N
• InChI: InChI=1S/C7H10N2O/c1-2-10-7-5-3-4-6(8)9-7/h3-5H,2H2,1H3,(H2,8,9)
• InChIKey: VRZIITVWIJSXOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethoxypyridin-2-amine
• IUPAC Traditional name: 6-ethoxypyridin-2-amine
• Synonyms: 6-ethoxypyridin-2-amine; 6-ETHOXY-2-PYRIDINAMINE

Database IDs

• CAS Number: 768-42-3
• MDL Number: MFCD00235129
• PubChem SID: 180667884
• PubChem CID: 586710

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2437485
• LogD (pH = 7.4): 1.3137282
• Log P: 1.3146992
• Molar Refractivity: 40.4403 cm^3
• Polarizability: 14.932623 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.691

Product Information

• Purity: 95%; 98%