6-methylpyridine-2-carboximidamide hydrochloride

• ChemBase ID: 54258
• Molecular Formular: C7H10ClN3
• Molecular Mass: 171.6274
• Monoisotopic Mass: 171.05632502
• SMILES: c1c(nc(cc1)C)C(=N)N.Cl
• Canonical SMILES: Cc1cccc(n1)C(=N)N.Cl
• InChI: InChI=1S/C7H9N3.ClH/c1-5-3-2-4-6(10-5)7(8)9;/h2-4H,1H3,(H3,8,9);1H
• InChIKey: BNIMQGKKURUQOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methylpyridine-2-carboximidamide hydrochloride
• IUPAC Traditional name: 6-methylpyridine-2-carboximidamide hydrochloride
• Synonyms: 6-Methyl-pyridine-2-carboxamidine hydrochloride

Database IDs

• CAS Number: 190004-35-4
• MDL Number: MFCD09952702
• PubChem SID: 162059021
• PubChem CID: 14253201

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.1814601
• LogD (pH = 7.4): -1.2884917
• Log P: 0.19326235
• Molar Refractivity: 49.7931 cm^3
• Polarizability: 14.888443 Å^3
• Polar Surface Area: 62.76 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%