[3-(triethoxysilyl)propyl]urea

• ChemBase ID: 108062
• Molecular Formular: C10H24N2O4Si
• Molecular Mass: 264.39406
• Monoisotopic Mass: 264.15053379
• SMILES: CCO[Si](CCCNC(=O)N)(OCC)OCC
• Canonical SMILES: CCO[Si](OCC)(OCC)CCCNC(=O)N
• InChI: InChI=1S/C10H24N2O4Si/c1-4-14-17(15-5-2,16-6-3)9-7-8-12-10(11)13/h4-9H2,1-3H3,(H3,11,12,13)
• InChIKey: LVNLBBGBASVLLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(triethoxysilyl)propyl]urea
• IUPAC Traditional name: 3-(triethoxysilyl)propylurea
• Synonyms: [3-[Tri(ethoxy/methoxy)silyl]propyl]urea solution; 3-Ureidopropyltriethoxysilane; N-(TRIETHOXYSILYLPROPYL)UREA; [3-[三(乙氧基/甲氧基)甲硅烷基]丙基]脲 溶液

Database IDs

• CAS Number: 23779-32-0; 116912-64-2
• MDL Number: MFCD00047877
• PubChem SID: 24865862; 162093803
• PubChem CID: 90258

CALCULATED PROPERTIES

• Acid pKa: 15.257364
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.44579998
• LogD (pH = 7.4): 0.4458
• Log P: 0.4458
• Molar Refractivity: 61.7713 cm^3
• Polarizability: 26.589836 Å^3
• Polar Surface Area: 82.81 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 14 °C; 58 °F
• Density: 0.91 g/mL at 25 °C
• Refractive Index: n20/D 1.39

Safety Information

• European Hazard Symbols: Flammable (F); Toxic (T)
• UN Number: 1866
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11
• Safety Statements: 16-23-45
• RID/ADR: UN 1866 3/PG 2

Product Information

• Concentration: 50 wt. % in methanol
• Linear Formula: (RO)3Si(CH2)3NHCONH2, R = -CH3 or -CH2CH3

DETAILS

MP Biomedicals - 05205930

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 413372

Packaging
50 mL in glass bottle