5-methyl-3-[2-(trimethylsilyl)ethynyl]pyridin-2-amine

• ChemBase ID: 32525
• Molecular Formular: C11H16N2Si
• Molecular Mass: 204.34364
• Monoisotopic Mass: 204.10827505
• SMILES: c1(cnc(c(c1)C#C[Si](C)(C)C)N)C
• Canonical SMILES: Cc1cnc(c(c1)C#C[Si](C)(C)C)N
• InChI: InChI=1S/C11H16N2Si/c1-9-7-10(11(12)13-8-9)5-6-14(2,3)4/h7-8H,1-4H3,(H2,12,13)
• InChIKey: NMFPYZARSQCPID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-3-[2-(trimethylsilyl)ethynyl]pyridin-2-amine
• IUPAC Traditional name: 5-methyl-3-[2-(trimethylsilyl)ethynyl]pyridin-2-amine
• Synonyms: 5-Methyl-3-((trimethylsilyl)ethynyl)pyridin-2-amine; 5-Methyl-3-((trimethylsilyl)ethynyl)pyridin-2-amine

Database IDs

• CAS Number: 500903-95-7
• MDL Number: MFCD11857671
• PubChem SID: 160995832
• PubChem CID: 11160024

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2318134
• LogD (pH = 7.4): 3.0776877
• Log P: 3.1165
• Molar Refractivity: 54.1928 cm^3
• Polarizability: 23.371065 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C11H16N2Si

DETAILS

Sigma Aldrich - ADE000534

Other Notes
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