4-(trimethylsilyl)-1H-indole

• ChemBase ID: 87602
• Molecular Formular: C11H15NSi
• Molecular Mass: 189.329
• Monoisotopic Mass: 189.09737602
• SMILES: [nH]1ccc2c(cccc12)[Si](C)(C)C
• Canonical SMILES: C[Si](c1cccc2c1cc[nH]2)(C)C
• InChI: InChI=1S/C11H15NSi/c1-13(2,3)11-6-4-5-10-9(11)7-8-12-10/h4-8,12H,1-3H3
• InChIKey: COFOETMEXFECLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(trimethylsilyl)-1H-indole
• IUPAC Traditional name: 4-(trimethylsilyl)-1H-indole
• Synonyms: 4-(Trimethylsilyl)-1H-indole 98%; 4-(TriMethylsilyl)-1H-indole

Database IDs

• CAS Number: 82645-11-2
• MDL Number: MFCD08436021
• PubChem SID: 162074642
• PubChem CID: 5256013

CALCULATED PROPERTIES

• Acid pKa: 16.447405
• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): 3.7326
• LogD (pH = 7.4): 3.7326
• Log P: 3.7326
• Molar Refractivity: 53.2081 cm^3
• Polarizability: 24.082447 Å^3
• Polar Surface Area: 15.79 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 58-60°C

Safety Information

• Storage Warning: Irritant/Keep Cold

Product Information

• Purity: 98%