pyridine-3-carboximidamide dihydrochloride

• ChemBase ID: 34785
• Molecular Formular: C6H9Cl2N3
• Molecular Mass: 194.06176
• Monoisotopic Mass: 193.01735266
• SMILES: C(=N)(c1cnccc1)N.Cl.Cl
• Canonical SMILES: NC(=N)c1cccnc1.Cl.Cl
• InChI: InChI=1S/C6H7N3.2ClH/c7-6(8)5-2-1-3-9-4-5;;/h1-4H,(H3,7,8);2*1H
• InChIKey: VQCNPHBZGNFQBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridine-3-carboximidamide dihydrochloride
• IUPAC Traditional name: pyridine-3-carboximidamide dihydrochloride
• Synonyms: Pyridine-3-carboximidamide dihydrochloride

Database IDs

• CAS Number: 7356-60-7
• MDL Number: MFCD16628199
• PubChem SID: 160998092
• PubChem CID: 21315634

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.7368488
• LogD (pH = 7.4): -2.5719368
• Log P: -0.32395813
• Molar Refractivity: 45.5736 cm^3
• Polarizability: 13.120177 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