2-{2-[2-(2-aminoethoxy)ethoxy]ethoxy}ethan-1-amine

• ChemBase ID: 142963
• Molecular Formular: C8H20N2O3
• Molecular Mass: 192.256
• Monoisotopic Mass: 192.14739251
• SMILES: C(COCCOCCOCCN)N
• Canonical SMILES: NCCOCCOCCOCCN
• InChI: InChI=1S/C8H20N2O3/c9-1-3-11-5-7-13-8-6-12-4-2-10/h1-10H2
• InChIKey: NIQFAJBKEHPUAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-[2-(2-aminoethoxy)ethoxy]ethoxy}ethan-1-amine
• IUPAC Traditional name: 2-{2-[2-(2-aminoethoxy)ethoxy]ethoxy}ethanamine
• Synonyms: 2,2′-[Oxybis(ethylenoxy)]diethylamine; 1,11-Diamino-3,6,9-trioxaundecane; 2,2′-[氧二(乙烯氧)]二乙胺; 3,6,9-三氧杂十一烷-1,11-二胺

Database IDs

• CAS Number: 929-75-9
• EC Number: 213-206-2
• MDL Number: MFCD00628164
• PubChem SID: 162237189
• PubChem CID: 70250

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -7.5295773
• LogD (pH = 7.4): -5.578201
• Log P: -1.5633692
• Molar Refractivity: 50.9991 cm^3
• Polarizability: 20.613222 Å^3
• Polar Surface Area: 79.73 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 37/38-41
• Safety Statements: 26-39
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H318-H335
• GHS Precautionary statements: P261-P280-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: ≥98.0% (GC)
• Empirical Formula (Hill Notation): C8H20N2O3

DETAILS

Sigma Aldrich - 40421

Application
Hydrophilic, homo-bifunctional linker, i.e. for the prep. of biotinylation reagents1, for the prep. of dendrimers2 and for the prep. of macrocycles3.
Packaging
100, 500 mg in poly bottle