5-(tert-butylamino)pyridine-2-carboximidamide dihydrochloride

• ChemBase ID: 241450
• Molecular Formular: C10H18Cl2N4
• Molecular Mass: 265.18272
• Monoisotopic Mass: 264.09085196
• SMILES: n1c(C(=N)N)ccc(NC(C)(C)C)c1.Cl.Cl
• Canonical SMILES: NC(=N)c1ccc(cn1)NC(C)(C)C.Cl.Cl
• InChI: InChI=1S/C10H16N4.2ClH/c1-10(2,3)14-7-4-5-8(9(11)12)13-6-7;;/h4-6,14H,1-3H3,(H3,11,12);2*1H
• InChIKey: JNKUHAXBBDUWPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(tert-butylamino)pyridine-2-carboximidamide dihydrochloride
• IUPAC Traditional name: 5-(tert-butylamino)pyridine-2-carboximidamide dihydrochloride
• Synonyms: 5-(tert-butylamino)pyridine-2-carboximidamide dihydrochloride

Database IDs

• PubChem SID: 164297360
• PubChem CID: 71756787

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.8220607
• LogD (pH = 7.4): -1.5540991
• Log P: 0.58862996
• Molar Refractivity: 69.201 cm^3
• Polarizability: 21.629333 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%