(2-aminoethyl)[(4-ethylphenyl)methyl]amine; silanone

• ChemBase ID: 138777
• Molecular Formular: C11H20N2OSi
• Molecular Mass: 224.3748
• Monoisotopic Mass: 224.1344898
• SMILES: CCc1ccc(cc1)CNCCN.O=[SiH2]
• Canonical SMILES: NCCNCc1ccc(cc1)CC.O=[SiH2]
• InChI: InChI=1S/C11H18N2.H2OSi/c1-2-10-3-5-11(6-4-10)9-13-8-7-12;1-2/h3-6,13H,2,7-9,12H2,1H3;2H2
• InChIKey: CCQAKQRLCMCWIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminoethyl)[(4-ethylphenyl)methyl]amine; silanone
• IUPAC Traditional name: (2-aminoethyl)[(4-ethylphenyl)methyl]amine; silicon monoxide
• Synonyms: Aminoethylamino-2Ar functionalized silica gel; 2-(4-(Ethylenediamino)benzyl)ethyl-functionalized silica gel; 氨基乙基氨基-2芳基官能化硅胶; 2-(4-(乙二胺基)苄基)乙基官能化硅胶

Database IDs

• MDL Number: MFCD03095880
• PubChem SID: 162233028
• PubChem CID: 45052163

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.8752348
• LogD (pH = 7.4): -0.66236055
• Log P: 1.6926008
• Molar Refractivity: 56.898 cm^3
• Polarizability: 22.568188 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Extent of Labeling: 1.2 mmol/g loading

DETAILS

Sigma Aldrich - 552585

Application
Palladium scavenger
Packaging
5 g in glass bottle