N-(2-aminoethyl)-6-methylpyridazin-3-amine dihydrochloride

• ChemBase ID: 269224
• Molecular Formular: C7H14Cl2N4
• Molecular Mass: 225.11886
• Monoisotopic Mass: 224.05955183
• SMILES: n1nc(ccc1NCCN)C.Cl.Cl
• Canonical SMILES: NCCNc1ccc(nn1)C.Cl.Cl
• InChI: InChI=1S/C7H12N4.2ClH/c1-6-2-3-7(11-10-6)9-5-4-8;;/h2-3H,4-5,8H2,1H3,(H,9,11);2*1H
• InChIKey: DABWUIHODRLVFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminoethyl)-6-methylpyridazin-3-amine dihydrochloride
• IUPAC Traditional name: N-(2-aminoethyl)-6-methylpyridazin-3-amine dihydrochloride
• Synonyms: N-(2-aminoethyl)-6-methylpyridazin-3-amine dihydrochloride

Database IDs

• MDL Number: MFCD16817523
• PubChem SID: 164325134
• PubChem CID: 50988326

CALCULATED PROPERTIES

• Acid pKa: 19.134089
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.8268538
• LogD (pH = 7.4): -2.9786472
• Log P: -0.82257456
• Molar Refractivity: 46.813 cm^3
• Polarizability: 16.656082 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.184

Product Information

• Purity: 95%