6-ethoxypyridine-3,4-diamine

• ChemBase ID: 801132
• Molecular Formular: C7H11N3O
• Molecular Mass: 153.18174
• Monoisotopic Mass: 153.09021199
• SMILES: n1cc(c(cc1OCC)N)N
• Canonical SMILES: CCOc1cc(N)c(cn1)N
• InChI: InChI=1S/C7H11N3O/c1-2-11-7-3-5(8)6(9)4-10-7/h3-4H,2,9H2,1H3,(H2,8,10)
• InChIKey: XCWBTZWOBAEOAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethoxypyridine-3,4-diamine
• IUPAC Traditional name: 6-ethoxypyridine-3,4-diamine
• Synonyms: 3,4-DIAMINO-6-ETHOXYPYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.3822213
• LogD (pH = 7.4): -0.29641622
• Log P: -0.1086843
• Molar Refractivity: 44.8272 cm^3
• Polarizability: 16.078419 Å^3
• Polar Surface Area: 74.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%