6-(tert-butylamino)pyridine-2-carboximidamide hydrochloride

• ChemBase ID: 247640
• Molecular Formular: C10H17ClN4
• Molecular Mass: 228.72178
• Monoisotopic Mass: 228.11417424
• SMILES: n1c(NC(C)(C)C)cccc1C(=N)N.Cl
• Canonical SMILES: NC(=N)c1cccc(n1)NC(C)(C)C.Cl
• InChI: InChI=1S/C10H16N4.ClH/c1-10(2,3)14-8-6-4-5-7(13-8)9(11)12;/h4-6H,1-3H3,(H3,11,12)(H,13,14);1H
• InChIKey: BYKOLXQYHQXLSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(tert-butylamino)pyridine-2-carboximidamide hydrochloride
• IUPAC Traditional name: 6-(tert-butylamino)pyridine-2-carboximidamide hydrochloride
• Synonyms: 6-(tert-butylamino)pyridine-2-carboximidamide hydrochloride

Database IDs

• PubChem SID: 164303550
• PubChem CID: 71758269

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.1991216
• LogD (pH = 7.4): -0.37711728
• Log P: 1.1830875
• Molar Refractivity: 69.5145 cm^3
• Polarizability: 21.63001 Å^3
• Polar Surface Area: 74.79 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.398

Product Information

• Purity: 95%