4-(3-aminopropyl)-2,2,6,6-tetramethyl-4-[(trimethylsilyl)oxy]-3,5-dioxa-2,4,6-trisilaheptane

• ChemBase ID: 157997
• Molecular Formular: C12H35NO3Si4
• Molecular Mass: 353.7532
• Monoisotopic Mass: 353.16940011
• SMILES: C[Si](C)(C)O[Si](CCCN)(O[Si](C)(C)C)O[Si](C)(C)C
• Canonical SMILES: NCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
• InChI: InChI=1S/C12H35NO3Si4/c1-17(2,3)14-20(12-10-11-13,15-18(4,5)6)16-19(7,8)9/h10-13H2,1-9H3
• InChIKey: KCJAIHQXOQUWTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-aminopropyl)-2,2,6,6-tetramethyl-4-[(trimethylsilyl)oxy]-3,5-dioxa-2,4,6-trisilaheptane
• IUPAC Traditional name: 4-(3-aminopropyl)-2,2,6,6-tetramethyl-4-[(trimethylsilyl)oxy]-3,5-dioxa-2,4,6-trisilaheptane
• Synonyms: 3-[Tris(trimethylsiloxy)silyl]propylamine; (3-Aminopropyl)tris(trimethylsiloxy)silane; 3-[三(三甲基硅氧烷基)硅烷基]丙胺; (3-氨丙基)三(三甲硅烷氧基)硅烷

Database IDs

• CAS Number: 25357-81-7
• MDL Number: MFCD00054848
• Beilstein Number: 1957490
• PubChem SID: 162252133
• PubChem CID: 2756547

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.81415665
• LogD (pH = 7.4): 1.518458
• Log P: 4.2363
• Molar Refractivity: 74.3358 cm^3
• Polarizability: 38.187218 Å^3
• Polar Surface Area: 53.71 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 192.2 °F; 89 °C
• Density: 0.891 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.413(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• 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

• Purity: ≥95% (GC)
• Grade: technical
• Empirical Formula (Hill Notation): C12H35NO3Si4