5-tert-butyl-2,2,8,8-tetramethyl-3,5,7-triaza-4,6-disilanonane

• ChemBase ID: 136857
• Molecular Formular: C12H33N3Si2
• Molecular Mass: 275.58152
• Monoisotopic Mass: 275.22130114
• SMILES: CC(C)(C)N[SiH2]N(C(C)(C)C)[SiH2]NC(C)(C)C
• Canonical SMILES: CC(N([SiH2]NC(C)(C)C)[SiH2]NC(C)(C)C)(C)C
• InChI: InChI=1S/C12H33N3Si2/c1-10(2,3)13-16-15(12(7,8)9)17-14-11(4,5)6/h13-14H,16-17H2,1-9H3
• InChIKey: FTOKMZSSAHWWBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-tert-butyl-2,2,8,8-tetramethyl-3,5,7-triaza-4,6-disilanonane
• IUPAC Traditional name: 5-tert-butyl-2,2,8,8-tetramethyl-3,5,7-triaza-4,6-disilanonane
• Synonyms: N,N′,2-Tris(tert-butyl)-1,3-disilazanediamine; 1,3-Bis(tert-butylamino)-2-tert-butyldisilazane; N,N′,2-三(叔丁基)-1,3-二硅氮烷二胺; 1,3-二(叔丁基氨基)-2-叔丁基二硅氮烷

Database IDs

• CAS Number: 302912-47-6
• MDL Number: MFCD03093895
• PubChem SID: 162231124
• PubChem CID: 71309997

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -5.251105
• LogD (pH = 7.4): -2.709677
• Log P: 2.0173
• Molar Refractivity: 92.5376 cm^3
• Polarizability: 33.291954 Å^3
• Polar Surface Area: 27.3 Å^2
• Rotatable Bonds: 7

PROPERTIES

Physical Property

• Boiling Point: 83-85 °C/0.01 mmHg(lit.)
• Flash Point: 125.6 °F; 52 °C
• Density: 0.868 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-36/37/38
• Safety Statements: 16-26-36
• 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), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: 95%
• Linear Formula: [(CH3)3CNHSiH2]2NC(CH3)3