4-{[(tert-butyldimethylsilyl)oxy]methyl}pyridin-2-amine

• ChemBase ID: 15477
• Molecular Formular: C12H22N2OSi
• Molecular Mass: 238.40138
• Monoisotopic Mass: 238.15013987
• SMILES: c1c(nccc1CO[Si](C(C)(C)C)(C)C)N
• Canonical SMILES: Nc1nccc(c1)CO[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C12H22N2OSi/c1-12(2,3)16(4,5)15-9-10-6-7-14-11(13)8-10/h6-8H,9H2,1-5H3,(H2,13,14)
• InChIKey: JMNHDECXCXSHHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[(tert-butyldimethylsilyl)oxy]methyl}pyridin-2-amine
• IUPAC Traditional name: 4-{[(tert-butyldimethylsilyl)oxy]methyl}pyridin-2-amine
• Synonyms: 4-(tert-Butyl-dimethyl-silanyloxymethyl)-pyridin-2-ylamine; 4-(tert-Butyl-dimethyl-silanyloxymethyl)-pyridin-2-ylamine

Database IDs

• CAS Number: 329794-09-4
• MDL Number: MFCD06800385
• PubChem SID: 160978784
• PubChem CID: 11160766

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5460203
• LogD (pH = 7.4): 2.6006603
• Log P: 2.6783
• Molar Refractivity: 65.579 cm^3
• Polarizability: 27.077808 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 109.2-109.3°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C12H22N2OSi

DETAILS

Sigma Aldrich - ADE000184

Other Notes
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