3-ethoxypyridin-2-amine

• ChemBase ID: 44769
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: c1(ncccc1OCC)N
• Canonical SMILES: CCOc1cccnc1N
• InChI: InChI=1S/C7H10N2O/c1-2-10-6-4-3-5-9-7(6)8/h3-5H,2H2,1H3,(H2,8,9)
• InChIKey: ASJVXZBTTFDZDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethoxypyridin-2-amine
• IUPAC Traditional name: 3-ethoxypyridin-2-amine
• Synonyms: 2-Amino-3-ethoxypyridine; 3-Ethoxy-2-pyridinamine

Database IDs

• CAS Number: 10006-74-3
• MDL Number: MFCD00234961
• PubChem SID: 162049532
• PubChem CID: 586630

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.23075728
• LogD (pH = 7.4): 0.66514474
• Log P: 0.72024167
• Molar Refractivity: 40.1268 cm^3
• Polarizability: 14.930779 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: >95%