N-ethyl-6-methylpyridazin-3-amine

• ChemBase ID: 273710
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: n1nc(ccc1NCC)C
• Canonical SMILES: CCNc1ccc(nn1)C
• InChI: InChI=1S/C7H11N3/c1-3-8-7-5-4-6(2)9-10-7/h4-5H,3H2,1-2H3,(H,8,10)
• InChIKey: RNOJUWVVUNEZSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-6-methylpyridazin-3-amine
• IUPAC Traditional name: N-ethyl-6-methylpyridazin-3-amine
• Synonyms: N-ethyl-6-methylpyridazin-3-amine

Database IDs

• MDL Number: MFCD14621076
• PubChem SID: 164329620
• PubChem CID: 52092805

CALCULATED PROPERTIES

• Log P: 0.33121723
• Molar Refractivity: 43.6118 cm^3
• Polarizability: 15.128226 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.29269478
• LogD (pH = 7.4): 0.33071035

PROPERTIES

Physical Property

• Melting Point: 99 - 101°C
• Hydrophobicity(logP): 1.403

Product Information

• Purity: 95%