6-(tert-butoxy)pyridine-2-carboximidamide

• ChemBase ID: 244099
• Molecular Formular: C10H15N3O
• Molecular Mass: 193.2456
• Monoisotopic Mass: 193.12151212
• SMILES: n1c(C(=N)N)cccc1OC(C)(C)C
• Canonical SMILES: NC(=N)c1cccc(n1)OC(C)(C)C
• InChI: InChI=1S/C10H15N3O/c1-10(2,3)14-8-6-4-5-7(13-8)9(11)12/h4-6H,1-3H3,(H3,11,12)
• InChIKey: UUARTASDWZPQIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD20367828
• PubChem SID: 164300009
• PubChem CID: 64594601

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.77939105
• LogD (pH = 7.4): 0.36276373
• Log P: 1.552638
• Molar Refractivity: 65.7839 cm^3
• Polarizability: 21.171432 Å^3
• Polar Surface Area: 71.99 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.718

Product Information

• Purity: 95%