N-(2-aminoethyl)-6-methylpyridin-2-amine dihydrochloride

• ChemBase ID: 273844
• Molecular Formular: C8H15Cl2N3
• Molecular Mass: 224.1308
• Monoisotopic Mass: 223.06430286
• SMILES: n1c(NCCN)cccc1C.Cl.Cl
• Canonical SMILES: NCCNc1cccc(n1)C.Cl.Cl
• InChI: InChI=1S/C8H13N3.2ClH/c1-7-3-2-4-8(11-7)10-6-5-9;;/h2-4H,5-6,9H2,1H3,(H,10,11);2*1H
• InChIKey: BVPIEWLVLGRNBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18785566
• PubChem SID: 164329754
• PubChem CID: 54592944

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.336403
• LogD (pH = 7.4): -2.0105758
• Log P: 0.1571954
• Molar Refractivity: 46.9497 cm^3
• Polarizability: 17.546896 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 221 - 223°C
• Hydrophobicity(logP): 0.925

Product Information

• Purity: 95%