2-N-methylpyridine-2,5-diamine hydrochloride

• ChemBase ID: 243456
• Molecular Formular: C6H10ClN3
• Molecular Mass: 159.6167
• Monoisotopic Mass: 159.05632502
• SMILES: n1c(NC)ccc(c1)N.Cl
• Canonical SMILES: CNc1ccc(cn1)N.Cl
• InChI: InChI=1S/C6H9N3.ClH/c1-8-6-3-2-5(7)4-9-6;/h2-4H,7H2,1H3,(H,8,9);1H
• InChIKey: GGXDVYASAYEGGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-N-methylpyridine-2,5-diamine hydrochloride
• IUPAC Traditional name: 2-N-methylpyridine-2,5-diamine hydrochloride
• Synonyms: 2-N-methylpyridine-2,5-diamine hydrochloride

Database IDs

• MDL Number: MFCD09839774
• PubChem SID: 164299366
• PubChem CID: 66524814

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.2624313
• LogD (pH = 7.4): -0.17931163
• Log P: -0.0061169076
• Molar Refractivity: 39.1088 cm^3
• Polarizability: 13.547973 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 196 - 198°C
• Hydrophobicity(logP): 0.789

Product Information

• Purity: 95%