N,N-diethyl-2-(trimethylsilyl)-1H-indole-1-carboxamide

• ChemBase ID: 141053
• Molecular Formular: C16H24N2OSi
• Molecular Mass: 288.46006
• Monoisotopic Mass: 288.16578993
• SMILES: CCN(CC)C(=O)n1c2ccccc2cc1[Si](C)(C)C
• Canonical SMILES: CCN(C(=O)n1c2ccccc2cc1[Si](C)(C)C)CC
• InChI: InChI=1S/C16H24N2OSi/c1-6-17(7-2)16(19)18-14-11-9-8-10-13(14)12-15(18)20(3,4)5/h8-12H,6-7H2,1-5H3
• InChIKey: FVRCYZLAJZNZRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-2-(trimethylsilyl)-1H-indole-1-carboxamide
• IUPAC Traditional name: N,N-diethyl-2-(trimethylsilyl)indole-1-carboxamide
• Synonyms: N,N-Diethyl-2-(trimethylsilyl)indole-1-carboxamide; N,N-二乙基-2-(三甲基甲硅烷基)吲哚-1-甲酰胺

Database IDs

• CAS Number: 548775-58-2
• MDL Number: MFCD09836230
• PubChem SID: 162235289
• PubChem CID: 53412336

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.1075974
• LogD (pH = 7.4): 4.1075997
• Log P: 4.1076
• Molar Refractivity: 79.699 cm^3
• Polarizability: 34.41905 Å^3
• Polar Surface Area: 25.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: >110 °C; >230 °F
• Density: 1.030 g/mL at 25 °C
• Refractive Index: n20/D 1.555

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 90%
• Empirical Formula (Hill Notation): C16H24N2OSi

DETAILS

Sigma Aldrich - 685895

Packaging
1, 5 g in glass bottle