5-ethoxypyridin-3-amine

• ChemBase ID: 76900
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: n1cc(cc(c1)OCC)N
• Canonical SMILES: CCOc1cncc(c1)N
• InChI: InChI=1S/C7H10N2O/c1-2-10-7-3-6(8)4-9-5-7/h3-5H,2,8H2,1H3
• InChIKey: ZIGPHZOGECKLGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethoxypyridin-3-amine
• IUPAC Traditional name: 5-ethoxypyridin-3-amine
• Synonyms: 5-Ethoxypyridin-3-amine; 5-Ethoxypyridin-3-amine; 3-Amino-5-ethoxypyridine

Database IDs

• CAS Number: 51468-00-9
• MDL Number: MFCD01646192
• PubChem SID: 162041799
• PubChem CID: 12307863

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.067459315
• LogD (pH = 7.4): 0.12252332
• Log P: 0.12578413
• Molar Refractivity: 39.8133 cm^3
• Polarizability: 14.930302 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95+%