(phenylmethylidene)(trimethylsilyl)amine

• ChemBase ID: 141268
• Molecular Formular: C10H15NSi
• Molecular Mass: 177.3183
• Monoisotopic Mass: 177.09737602
• SMILES: C[Si](C)(C)/N=C/c1ccccc1
• Canonical SMILES: C[Si](/N=C/c1ccccc1)(C)C
• InChI: InChI=1S/C10H15NSi/c1-12(2,3)11-9-10-7-5-4-6-8-10/h4-9H,1-3H3
• InChIKey: ATGAAABKKYCMRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (phenylmethylidene)(trimethylsilyl)amine
• IUPAC Traditional name: (phenylmethylidene)(trimethylsilyl)amine
• Synonyms: (Benzylidene)(trimethylsilyl)amine; N-Trimethylsilylbenzaldimine; (亚苄基)(三甲基硅基)胺; N-三甲基硅基苯甲醛亚胺

Database IDs

• CAS Number: 17599-61-0
• MDL Number: MFCD00463605
• PubChem SID: 162235503
• PubChem CID: 9603334

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.0173163
• LogD (pH = 7.4): 2.7976534
• Log P: 3.5979
• Molar Refractivity: 51.2394 cm^3
• Polarizability: 21.370407 Å^3
• Polar Surface Area: 12.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 50-60 °C
• Flash Point: 118.4 °F; 48 °C
• Density: 1.444 g/mL at 25 °C
• Refractive Index: n20/D 1.521

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C10H15NSi

DETAILS

Sigma Aldrich - 699322

Packaging
5, 25 g in glass bottle