(2-aminoethyl)({3-[dimethoxy(methyl)silyl]propyl})amine

• ChemBase ID: 158266
• Molecular Formular: C8H22N2O2Si
• Molecular Mass: 206.35798
• Monoisotopic Mass: 206.14505449
• SMILES: CO[Si](C)(CCCNCCN)OC
• Canonical SMILES: NCCNCCC[Si](OC)(OC)C
• InChI: InChI=1S/C8H22N2O2Si/c1-11-13(3,12-2)8-4-6-10-7-5-9/h10H,4-9H2,1-3H3
• InChIKey: MQWFLKHKWJMCEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminoethyl)({3-[dimethoxy(methyl)silyl]propyl})amine
• IUPAC Traditional name: (2-aminoethyl)({3-[dimethoxy(methyl)silyl]propyl})amine
• Synonyms: N-(2-Aminoethyl)-3-aminopropylmethyldimethoxysilane; 3-(2-Aminoethylamino)propylmethyldimethoxysilane; N-[3-(Dimethoxymethylsilyl)propyl]ethylenediamine; 3-(2-Aminoethylamino)propyldimethoxymethylsilane; N-(2-Aminoethyl)-3-aminopropylmethyldimethoxysilane; 3-(2-Aminoethylamino)propylmethyldimethoxysilane; 3-(2-氨基乙胺)丙基甲基二甲氧基硅烷; N-[3-(二甲氧基甲基硅基)丙基]乙二胺; 3-(2-氨基乙基氨基)丙基甲基二甲氧基硅烷

Database IDs

• CAS Number: 3069-29-2
• EC Number: 221-336-6
• MDL Number: MFCD00054776
• Beilstein Number: 2074259
• PubChem SID: 162252402
• PubChem CID: 76482

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -5.8700166
• LogD (pH = 7.4): -3.3853147
• Log P: -0.7524
• Molar Refractivity: 51.4418 cm^3
• Polarizability: 22.839417 Å^3
• Polar Surface Area: 56.51 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 265°C
• Flash Point: 194 °F; 90 °C; 90°C(194°F)
• Density: 0.968; 0.968 g/mL at 20 °C(lit.)
• Refractive Index: 1.450; n20/D 1.450

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• UN Number: UN2735
• German water hazard class: 2
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34; 41-43
• Safety Statements: 26-36/37/39; 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H314-H318-H227; H317-H318
• GHS Precautionary statements: P210-P260-P303+P361+P353-P305+P351+P338-P405-P501A; 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

Product Information

• Purity: ≥95.0%; 97%
• Empirical Formula (Hill Notation): C8H22N2O2Si

DETAILS

Sigma Aldrich - 06667

Other Notes
Silane used for the derivatization of silica with aminoethyl-propylsilyl, AEAPS, groups. 1