tris(2H3)methylsilyl N-[tris(2H3)methylsilyl]ethanecarboximidate

• ChemBase ID: 135328
• Molecular Formular: C8H21NOSi2
• Molecular Mass: 203.42944
• Monoisotopic Mass: 203.11616736
• SMILES: C[Si](C)(C)/N=C(\C)/O[Si](C)(C)C
• Canonical SMILES: C/C(=N\[Si](C)(C)C)/O[Si](C)(C)C
• InChI: InChI=1S/C8H21NOSi2/c1-8(9-11(2,3)4)10-12(5,6)7/h1-7H3
• InChIKey: SIOVKLKJSOKLIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(^2H₃)methylsilyl N-[tris(^2H₃)methylsilyl]ethanecarboximidate; (E)-(tris(^2H₃)methylsilyl N-[tris(^2H₃)methylsilyl]ethenecarboximidate)
• IUPAC Traditional name: tris(^2H₃)methylsilyl N-[tris(^2H₃)methylsilyl]ethanecarboximidate; (E)-(tris(^2H₃)methylsilyl N-[tris(^2H₃)methylsilyl]ethenecarboximidate)
• Synonyms: BSA-d18; N,O-Bis(trimethyl-d9-silyl)acetamide; N-[Tri(methyl-d9)silyl]ethanimidic Acid Tri(methyl-d9)silyl Ester; N,O-Bis(trimethyl-d9-silyl)acetamide; N,O-双(三甲硅烷基-d9)乙酰胺

Database IDs

• CAS Number: 203784-65-0
• EC Number: 233-892-7
• MDL Number: MFCD01075431
• PubChem SID: 162229602; 24874823
• PubChem CID: 12412242

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7573494
• LogD (pH = 7.4): 3.0714154
• Log P: 3.1974
• Molar Refractivity: 47.6538 cm^3
• Polarizability: 22.749172 Å^3
• Polar Surface Area: 21.59 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Methanol
• Apperance: Clear Colourless Liquid
• Melting Point: 24 °C
• Boiling Point: 71-73 °C/35 mmHg(lit.)
• Flash Point: 12 °C; 53.6 °F
• Density: 0.869 g/mL at 25 °C
• Mass Shift: M+18

Safety Information

• Storage Condition: Refrigerator
• European Hazard Symbols: Corrosive (C)
• UN Number: 2920
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 10-14-22-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H302-H314
• GHS Precautionary statements: P210-P280-P305 + P351 + P338-P310
• RID/ADR: UN 2920 8/PG 2

Product Information

• Purity: 98% (CP)
• Isotopic Purity: 99 atom % D
• Mol. Weight: mol wt 221.39 by atom % calculation
• Empirical Formula (Hill Notation): C8D18H3NOSi2

DETAILS

Sigma Aldrich - 616818

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.