2-ethyl-6-methoxy-6-(2-phenylethyl)-5,7-dioxa-1,2-diaza-6-silaoctane

• ChemBase ID: 303743
• Molecular Formular: C14H26N2O3Si
• Molecular Mass: 298.45334
• Monoisotopic Mass: 298.17126923
• SMILES: CCN(CCO[Si](CCc1ccccc1)(OC)OC)N
• Canonical SMILES: CCN(CCO[Si](CCc1ccccc1)(OC)OC)N
• InChI: InChI=1S/C14H26N2O3Si/c1-4-16(15)11-12-19-20(17-2,18-3)13-10-14-8-6-5-7-9-14/h5-9H,4,10-13,15H2,1-3H3
• InChIKey: HQBOQTUOINGOEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-6-methoxy-6-(2-phenylethyl)-5,7-dioxa-1,2-diaza-6-silaoctane
• IUPAC Traditional name: 2-ethyl-6-methoxy-6-(2-phenylethyl)-5,7-dioxa-1,2-diaza-6-silaoctane
• Synonyms: (Aminoethylaminomethyl)phenethyltrimethoxysilane, mixture of m and p isomers; (氨基乙基氨基甲基)苯乙基三甲氧基甲硅烷, 间位和对位异构体混合物

Database IDs

• CAS Number: 74113-77-2
• MDL Number: MFCD00054775

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.6090075
• LogD (pH = 7.4): 2.2260413
• Log P: 2.2438
• Molar Refractivity: 77.9145 cm^3
• Polarizability: 32.8481 Å^3
• Polar Surface Area: 56.95 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 128°C/0.2mm
• Flash Point: >110°C(230°F)
• Density: 1.508

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2735
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A