4-(cyclopropylamino)pyridine-2-carboximidamide hydrochloride

• ChemBase ID: 246704
• Molecular Formular: C9H13ClN4
• Molecular Mass: 212.67932
• Monoisotopic Mass: 212.08287412
• SMILES: C(=N)(c1cc(NC2CC2)ccn1)N.Cl
• Canonical SMILES: NC(=N)c1nccc(c1)NC1CC1.Cl
• InChI: InChI=1S/C9H12N4.ClH/c10-9(11)8-5-7(3-4-12-8)13-6-1-2-6;/h3-6H,1-2H2,(H3,10,11)(H,12,13);1H
• InChIKey: UBZOPKMNQRJAQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(cyclopropylamino)pyridine-2-carboximidamide hydrochloride
• IUPAC Traditional name: 4-(cyclopropylamino)pyridine-2-carboximidamide hydrochloride
• Synonyms: 4-(cyclopropylamino)pyridine-2-carboximidamide hydrochloride

Database IDs

• PubChem SID: 164302614
• PubChem CID: 71758054

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.340621
• LogD (pH = 7.4): -1.4366648
• Log P: 2.34853E-4
• Molar Refractivity: 62.6066 cm^3
• Polarizability: 19.057043 Å^3
• Polar Surface Area: 74.79 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.745

Product Information

• Purity: 95%