6-ethoxypyridin-3-amine

• ChemBase ID: 236622
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: n1c(ccc(c1)N)OCC
• Canonical SMILES: CCOc1ccc(cn1)N
• InChI: InChI=1S/C7H10N2O/c1-2-10-7-4-3-6(8)5-9-7/h3-5H,2,8H2,1H3
• InChIKey: UXIPFCIFZLFXNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethoxypyridin-3-amine
• IUPAC Traditional name: 6-ethoxypyridin-3-amine
• Synonyms: 6-ethoxypyridin-3-amine; 5-AMINO-2-ETHOXYPYRIDINE

Database IDs

• CAS Number: 52025-34-0
• MDL Number: MFCD01646194
• PubChem SID: 164292532
• PubChem CID: 3040301

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7172239
• LogD (pH = 7.4): 0.7202035
• Log P: 0.72024167
• Molar Refractivity: 40.1268 cm^3
• Polarizability: 14.932125 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%