2-N-methylpyridine-2,4-diamine hydrochloride

• ChemBase ID: 293081
• Molecular Formular: C6H10ClN3
• Molecular Mass: 159.6167
• Monoisotopic Mass: 159.05632502
• SMILES: Nc1cc(NC)ncc1.Cl
• Canonical SMILES: CNc1cc(N)ccn1.Cl
• InChI: InChI=1S/C6H9N3.ClH/c1-8-6-4-5(7)2-3-9-6;/h2-4H,1H3,(H3,7,8,9);1H
• InChIKey: ZICJBZYANFHDQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-N-methylpyridine-2,4-diamine hydrochloride
• IUPAC Traditional name: 2-N-methylpyridine-2,4-diamine hydrochloride
• Synonyms: N2-Methylpyridine-2,4-diamine hydrochloride

Database IDs

• PubChem SID: 180678612
• PubChem CID: 71463623

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.4959309
• LogD (pH = 7.4): -1.447461
• Log P: -0.0061169076
• Molar Refractivity: 39.1088 cm^3
• Polarizability: 13.544523 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%