4-{1-[(dimethylsilyl)oxy]-2,2-dimethylpropyl}pyridin-2-amine

• ChemBase ID: 800425
• Molecular Formular: C12H22N2OSi
• Molecular Mass: 238.40138
• Monoisotopic Mass: 238.15013987
• SMILES: Nc1nccc(c1)C(O[SiH](C)C)C(C)(C)C
• Canonical SMILES: C[SiH](OC(C(C)(C)C)c1ccnc(c1)N)C
• InChI: InChI=1S/C12H22N2OSi/c1-12(2,3)11(15-16(4)5)9-6-7-14-10(13)8-9/h6-8,11,16H,1-5H3,(H2,13,14)
• InChIKey: QFIOWMATHVQGSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1-[(dimethylsilyl)oxy]-2,2-dimethylpropyl}pyridin-2-amine
• IUPAC Traditional name: 4-{1-[(dimethylsilyl)oxy]-2,2-dimethylpropyl}pyridin-2-amine
• Synonyms: 4-(tert-Butyl-dimethyl-silanyloxymethyl)-pyridin-2-ylamine

Database IDs

• CAS Number: 329794-09-4

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0074917
• LogD (pH = 7.4): 2.0568268
• Log P: 2.133
• Molar Refractivity: 64.6892 cm^3
• Polarizability: 27.077272 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%; 98%