6-aminopyridine-2-carboximidamide dihydrochloride

• ChemBase ID: 247031
• Molecular Formular: C6H10Cl2N4
• Molecular Mass: 209.0764
• Monoisotopic Mass: 208.0282517
• SMILES: n1c(C(=N)N)cccc1N.Cl.Cl
• Canonical SMILES: Nc1cccc(n1)C(=N)N.Cl.Cl
• InChI: InChI=1S/C6H8N4.2ClH/c7-5-3-1-2-4(10-5)6(8)9;;/h1-3H,(H2,7,10)(H3,8,9);2*1H
• InChIKey: OBEYEYNJKKZYAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-aminopyridine-2-carboximidamide dihydrochloride
• IUPAC Traditional name: 6-aminopyridine-2-carboximidamide dihydrochloride
• Synonyms: 6-aminopyridine-2-carboximidamide dihydrochloride

Database IDs

• PubChem SID: 164302941
• PubChem CID: 71758130

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.5562527
• LogD (pH = 7.4): -1.7501152
• Log P: -0.17257623
• Molar Refractivity: 50.2155 cm^3
• Polarizability: 14.270309 Å^3
• Polar Surface Area: 88.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 201 - 203°C
• Hydrophobicity(logP): -0.64

Product Information

• Purity: 95%