3,3,11,11-tetramethoxy-2,12-dioxa-7-aza-3,11-disilatridecane

• ChemBase ID: 146084
• Molecular Formular: C12H31NO6Si2
• Molecular Mass: 341.54864
• Monoisotopic Mass: 341.16899078
• SMILES: CO[Si](CCCNCCC[Si](OC)(OC)OC)(OC)OC
• Canonical SMILES: CO[Si](CCCNCCC[Si](OC)(OC)OC)(OC)OC
• InChI: InChI=1S/C12H31NO6Si2/c1-14-20(15-2,16-3)11-7-9-13-10-8-12-21(17-4,18-5)19-6/h13H,7-12H2,1-6H3
• InChIKey: TZZGHGKTHXIOMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3,11,11-tetramethoxy-2,12-dioxa-7-aza-3,11-disilatridecane
• IUPAC Traditional name: 3,3,11,11-tetramethoxy-2,12-dioxa-7-aza-3,11-disilatridecane
• Synonyms: 3,3′-Bis(trimethoxysilyl)dipropylamine; Bis[3-(trimethoxysilyl)propyl]amine; Bis(3-(trimethoxysilyl)propyl)amine; 二(3-三甲氧基甲硅烷基丙基)胺; 双[3-(三甲氧基甲硅烷基)丙基]胺

Database IDs

• CAS Number: 82985-35-1
• EC Number: 280-084-5
• MDL Number: MFCD00191835
• Beilstein Number: 9569446
• PubChem SID: 24849210; 24865859; 162240283
• PubChem CID: 157882

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): -2.809363
• LogD (pH = 7.4): -1.8253361
• Log P: 0.7469
• Molar Refractivity: 73.6658 cm^3
• Polarizability: 34.48331 Å^3
• Polar Surface Area: 67.41 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 152 °C/4 mmHg(lit.)
• Flash Point: 110 °C; 230 °F
• Density: 1.04 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.432(lit.)

Safety Information

• RTECS: TX2101000
• European Hazard Symbols: Harmful (Xn)
• UN Number: 3082
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 20/22-36/37/38
• Safety Statements: 26-36/37/39
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H318-H332-H335
• GHS Precautionary statements: P261-P280-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 3082 9/PG 3

Product Information

• Purity: ≥90%; ≥94% (GC); 95+%
• Grade: technical; technical grade
• Linear Formula: [(CH3O)3Si(CH2)3]2NH

DETAILS

Sigma Aldrich - 413356

Packaging
50, 250 mL in poly bottle