6-(dimethylamino)pyridine-3-carboximidamide hydrochloride

• ChemBase ID: 241891
• Molecular Formular: C8H13ClN4
• Molecular Mass: 200.66862
• Monoisotopic Mass: 200.08287412
• SMILES: c1(C(=N)N)cnc(N(C)C)cc1.Cl
• Canonical SMILES: CN(c1ccc(cn1)C(=N)N)C.Cl
• InChI: InChI=1S/C8H12N4.ClH/c1-12(2)7-4-3-6(5-11-7)8(9)10;/h3-5H,1-2H3,(H3,9,10);1H
• InChIKey: CETDGZYUTCDBOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(dimethylamino)pyridine-3-carboximidamide hydrochloride
• IUPAC Traditional name: 6-(dimethylamino)pyridine-3-carboximidamide hydrochloride
• Synonyms: 6-(dimethylamino)pyridine-3-carboximidamide hydrochloride

Database IDs

• MDL Number: MFCD22578478
• PubChem SID: 164297801
• PubChem CID: 71756900

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.0367482
• LogD (pH = 7.4): -2.0213275
• Log P: 0.37854326
• Molar Refractivity: 60.3157 cm^3
• Polarizability: 17.942787 Å^3
• Polar Surface Area: 66.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.387

Product Information

• Purity: 95%