6-(tert-butoxy)pyridine-3-carboximidamide

• ChemBase ID: 243461
• Molecular Formular: C10H15N3O
• Molecular Mass: 193.2456
• Monoisotopic Mass: 193.12151212
• SMILES: c1(C(=N)N)cnc(OC(C)(C)C)cc1
• Canonical SMILES: NC(=N)c1ccc(nc1)OC(C)(C)C
• InChI: InChI=1S/C10H15N3O/c1-10(2,3)14-8-5-4-7(6-13-8)9(11)12/h4-6H,1-3H3,(H3,11,12)
• InChIKey: TUBCSPBAZOTZFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(tert-butoxy)pyridine-3-carboximidamide
• IUPAC Traditional name: 6-(tert-butoxy)pyridine-3-carboximidamide
• Synonyms: 6-(tert-butoxy)pyridine-3-carboximidamide

Database IDs

• MDL Number: MFCD11197156
• PubChem SID: 164299371
• PubChem CID: 29002851

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.2476273
• LogD (pH = 7.4): -1.1727588
• Log P: 1.1667877
• Molar Refractivity: 66.1559 cm^3
• Polarizability: 21.167517 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%