4-aminopyridine-2-carboximidamide dihydrochloride

• ChemBase ID: 248732
• Molecular Formular: C6H10Cl2N4
• Molecular Mass: 209.0764
• Monoisotopic Mass: 208.0282517
• SMILES: C(=N)(c1cc(N)ccn1)N.Cl.Cl
• Canonical SMILES: Nc1ccnc(c1)C(=N)N.Cl.Cl
• InChI: InChI=1S/C6H8N4.2ClH/c7-4-1-2-10-5(3-4)6(8)9;;/h1-3H,(H2,7,10)(H3,8,9);2*1H
• InChIKey: BRXYTZMNEJHYBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-aminopyridine-2-carboximidamide dihydrochloride
• IUPAC Traditional name: 4-aminopyridine-2-carboximidamide dihydrochloride
• Synonyms: 4-aminopyridine-2-carboximidamide dihydrochloride

Database IDs

• PubChem SID: 164304642
• PubChem CID: 71758573

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.1013625
• LogD (pH = 7.4): -2.2225
• Log P: -0.76703376
• Molar Refractivity: 49.902 cm^3
• Polarizability: 14.266198 Å^3
• Polar Surface Area: 88.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.64

Product Information

• Purity: 95%