2,2,9,9-tetramethyl-3,8-diaza-2,9-disiladecane

• ChemBase ID: 135414
• Molecular Formular: C10H28N2Si2
• Molecular Mass: 232.51372
• Monoisotopic Mass: 232.17910197
• SMILES: C[Si](C)(C)NCCCCN[Si](C)(C)C
• Canonical SMILES: C[Si](NCCCCN[Si](C)(C)C)(C)C
• InChI: InChI=1S/C10H28N2Si2/c1-13(2,3)11-9-7-8-10-12-14(4,5)6/h11-12H,7-10H2,1-6H3
• InChIKey: RGJRTSKMSWYFCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,9,9-tetramethyl-3,8-diaza-2,9-disiladecane
• IUPAC Traditional name: 2,2,9,9-tetramethyl-3,8-diaza-2,9-disiladecane
• Synonyms: N,N′-Bis(trimethylsilyl)-1,4-butanediamine; N,N′-双(三甲基甲硅烷基)-1,4-丁二胺

Database IDs

• CAS Number: 13435-07-9
• MDL Number: MFCD00012193
• PubChem SID: 162229688
• PubChem CID: 13483149

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.377857
• LogD (pH = 7.4): -4.105985
• Log P: 2.8976
• Molar Refractivity: 81.4448 cm^3
• Polarizability: 28.078382 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 14 °C; 57.2 °F

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2733
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-34
• Safety Statements: 16-26-27-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H314
• GHS Precautionary statements: P210-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2733 3/PG 2

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C10H28N2Si2