11-(4-ethenylphenyl)-3,3-dimethoxy-2-oxa-7,10-diaza-3-silaundecane hydrochloride

• ChemBase ID: 149235
• Molecular Formular: C17H31ClN2O3Si
• Molecular Mass: 374.97814
• Monoisotopic Mass: 374.17924707
• SMILES: CO[Si](CCCNCCNCc1ccc(cc1)C=C)(OC)OC.Cl
• Canonical SMILES: CO[Si](CCCNCCNCc1ccc(cc1)C=C)(OC)OC.Cl
• InChI: InChI=1S/C17H30N2O3Si.ClH/c1-5-16-7-9-17(10-8-16)15-19-13-12-18-11-6-14-23(20-2,21-3)22-4;/h5,7-10,18-19H,1,6,11-15H2,2-4H3;1H
• InChIKey: JWIKADZFCMEWBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 11-(4-ethenylphenyl)-3,3-dimethoxy-2-oxa-7,10-diaza-3-silaundecane hydrochloride
• IUPAC Traditional name: 11-(4-ethenylphenyl)-3,3-dimethoxy-2-oxa-7,10-diaza-3-silaundecane hydrochloride
• Synonyms: N-[3-(Trimethoxysilyl)propyl]-N′-(4-vinylbenzyl)ethylenediamine hydrochloride solution; N-[3-(三甲氧基甲硅基)丙基]-N′-(4-乙烯基苄基)乙二胺 盐酸盐 溶液

Database IDs

• CAS Number: 33401-49-9
• MDL Number: MFCD00054284
• PubChem SID: 24865897; 162243403
• PubChem CID: 118473

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.9726206
• LogD (pH = 7.4): 0.42893767
• Log P: 2.562
• Molar Refractivity: 91.2029 cm^3
• Polarizability: 38.475407 Å^3
• Polar Surface Area: 51.75 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 13 °C; 55.4 °F
• Density: 0.905 g/mL at 25 °C
• Refractive Index: n20/D 1.402

Safety Information

• European Hazard Symbols: Flammable (F); Toxic (T)
• UN Number: 1230
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-23/24/25-39/23/24/25
• Safety Statements: 16-36/37-45
• GHS Pictograms: GHS02; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H301 + H311 + H331-H370
• GHS Precautionary statements: P210-P260-P280-P301 + P310-P311
• RID/ADR: UN 1230 3/PG 2

Product Information

• Concentration: 40 wt. % in methanol
• Linear Formula: H2C=CHC6H4CH2NHCH2CH2NH(CH2)3Si(OCH3)3·HCl

DETAILS

Sigma Aldrich - 414158

Packaging
250 mL in glass bottle