4-ethoxypyridin-2-amine

• ChemBase ID: 293486
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: CCOc1cc(N)ncc1
• Canonical SMILES: CCOc1ccnc(c1)N
• InChI: InChI=1S/C7H10N2O/c1-2-10-6-3-4-9-7(8)5-6/h3-5H,2H2,1H3,(H2,8,9)
• InChIKey: SCZJIUALOQFDEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethoxypyridin-2-amine
• IUPAC Traditional name: 4-ethoxypyridin-2-amine
• Synonyms: 2-Amino-4-ethoxypyridine

Database IDs

• CAS Number: 52311-20-3
• MDL Number: MFCD01646350
• PubChem SID: 180679017
• PubChem CID: 817773

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.74355066
• LogD (pH = 7.4): -0.044637024
• Log P: 0.72024167
• Molar Refractivity: 40.1268 cm^3
• Polarizability: 14.926683 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%