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

• ChemBase ID: 144776
• Molecular Formular: C13H33NO6Si2
• Molecular Mass: 355.57522
• Monoisotopic Mass: 355.18464085
• SMILES: CN(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC
• Canonical SMILES: CO[Si](CCCN(CCC[Si](OC)(OC)OC)C)(OC)OC
• InChI: InChI=1S/C13H33NO6Si2/c1-14(10-8-12-21(15-2,16-3)17-4)11-9-13-22(18-5,19-6)20-7/h8-13H2,1-7H3
• InChIKey: WTXITWGJFPAEIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3,11,11-tetramethoxy-7-methyl-2,12-dioxa-7-aza-3,11-disilatridecane
• IUPAC Traditional name: 3,3,11,11-tetramethoxy-7-methyl-2,12-dioxa-7-aza-3,11-disilatridecane
• Synonyms: Bis(3-(methylamino)propyl)trimethoxysilane; 二(3-(甲氨基)丙基)三甲氧基硅烷

Database IDs

• CAS Number: 31024-70-1
• MDL Number: MFCD07778037
• PubChem SID: 162238988; 24879175
• PubChem CID: 5066074

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): -2.2476425
• LogD (pH = 7.4): -0.53625774
• Log P: 1.1083
• Molar Refractivity: 78.9605 cm^3
• Polarizability: 36.311234 Å^3
• Polar Surface Area: 58.62 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: liquid
• Boiling Point: 170 °C/8.8 mmHg(lit.)
• Flash Point: 106 °C; 222.8 °F
• Density: 1.023 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4300(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Linear Formula: CH3N(CH2CH2CH2Si(OCH3)3)2

DETAILS

Sigma Aldrich - 555150

Packaging
25 mL in poly bottle