3-ethoxypyridin-4-amine

• ChemBase ID: 292253
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: CCOc1c(N)ccnc1
• Canonical SMILES: CCOc1cnccc1N
• InChI: InChI=1S/C7H10N2O/c1-2-10-7-5-9-4-3-6(7)8/h3-5H,2H2,1H3,(H2,8,9)
• InChIKey: QNDMDMFWRZOZEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethoxypyridin-4-amine
• IUPAC Traditional name: 3-ethoxypyridin-4-amine
• Synonyms: 3-Ethoxypyridin-4-amine

Database IDs

• CAS Number: 89943-13-5
• MDL Number: MFCD16877218
• PubChem SID: 180677784
• PubChem CID: 21387881

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.8566676
• LogD (pH = 7.4): -0.68516743
• Log P: 0.12578413
• Molar Refractivity: 39.8133 cm^3
• Polarizability: 14.926669 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%