6-ethoxypyridazin-3-amine

• ChemBase ID: 67163
• Molecular Formular: C6H9N3O
• Molecular Mass: 139.15516
• Monoisotopic Mass: 139.07456192
• SMILES: c1(ccc(nn1)OCC)N
• Canonical SMILES: CCOc1ccc(nn1)N
• InChI: InChI=1S/C6H9N3O/c1-2-10-6-4-3-5(7)8-9-6/h3-4H,2H2,1H3,(H2,7,8)
• InChIKey: GMEONBANQFZLSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethoxypyridazin-3-amine
• IUPAC Traditional name: 6-ethoxypyridazin-3-amine
• Synonyms: 6-Ethoxypyridazin-3-amine

Database IDs

• CAS Number: 39614-78-3
• MDL Number: MFCD08460377
• PubChem SID: 162032899
• PubChem CID: 3084748

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.33316976
• LogD (pH = 7.4): 0.33490703
• Log P: 0.33492923
• Molar Refractivity: 40.3036 cm^3
• Polarizability: 14.070517 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%