O-(2-AMINOETHYL)-O-(2-AZIDOETHYL)HEPTAETHYLENE GLYCOL CAS#: 857891-82-8; ChemWhat Code: 73118
Identification
| Product Name | O-(2-AMINOETHYL)-O-(2-AZIDOETHYL)HEPTAETHYLENE GLYCOL |
| IUPAC Name | 2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine |
| Molecular Structure |  |
| CAS Registry Number | 857891-82-8 |
| EINECS Number | No data available |
| MDL Number | MFCD03453241 |
| Beilstein Registry Number | No data available |
| Synonyms | O-(2-aminoethyl)-O’-(2-azidoethyl)heptaethylene glycol26-azido-3,6,9,12,15,18,21,24-octaoxahexacosan-1-amine |
| Molecular Formula | C18H38N4O8 |
| Molecular Weight | 438.516 |
| InChI | InChI=1S/C18H38N4O8/c19-1-3-23-5-7-25-9-11-27-13-15-29-17-18-30-16-14-28-12-10-26-8-6-24-4-2-21-22-20/h1-19H2 |
| InChI Key | ZSFGTBJYBWJOLZ-UHFFFAOYSA-N |
| Canonical SMILES | C(COCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])N |
| Patent Information |
| No data available |
Physical Data
| Appearance | Pale yellow or colorless oily |
| Solubility | No data available |
| Flash Point | No data available |
| Refractive index | No data available |
| Sensitivity | No data available |
Spectra
| Description (Mass Spectrometry) |
| electrospray ionisation (ESI), spectrum |
| electron impact (EI), spectrum |
Route of Synthesis (ROS)
| Conditions | Yield |
| With N-ethyl-N,N-diisopropylamine; O-(7-azabenzotriazol-1-yl)-n,n,n’,n’-tetramethyluronium hexafluoro-phosphate In N,N-dimethyl-formamide at 20℃; for 2h; | 78% |
| With N-ethyl-N,N-diisopropylamine; O-(7-azabenzotriazol-1-yl)-n,n,n’,n’-tetramethyluronium hexafluoro-phosphate In N,N-dimethyl-formamide at 20℃; for 2h; | 78% |
Safety and Hazards
| Pictogram(s) |  |
| Signal | Warning |
| GHS Hazard Statements | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] Information may vary between notifications depending on impurities, additives, and other factors. |
| Precautionary Statement Codes | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Other Data
| Transportation | NONH for all modes of transport |
| Under the room temperature and away from light | |
| HS Code | No data available |
| Storage | Under the room temperature and away from light |
| Shelf Life | 1 year |
| Market Price | USD |
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 438.522 |
| logP | -2.555 |
| HBA | 12 |
| HBD | 1 |
| Matching Lipinski Rules | 3 |
| Veber rules component | |
| Polar Surface Area (PSA) | 149.61 |
| Rotatable Bond (RotB) | 26 |
| Matching Veber Rules | 0 |
| Use Pattern |
| O-(2-AMINOETHYL)-O-(2-AZIDOETHYL)HEPTAETHYLENE GLYCOL CAS#: 857891-82-8 is a polyethylene glycol (PEG) linker to facilitate antibody-drug conjugate (ADC) development projects. |
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Approved Manufacturers | |
| Caming Pharmaceutical Ltd | http://www.caming.com/ |
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Other Suppliers | |
| Watson International Limited | Visit Watson Official Website |
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