3,3'-Oxydipropan-1-ol - CAS 2396-61-4
Catalog: |
BB058438 |
Product Name: |
3,3'-Oxydipropan-1-ol |
CAS: |
2396-61-4 |
Synonyms: |
3,3'-Oxydipropanol; 3,3'-Oxydi-1-propanol; 3,3'-Oxybis[1-propanol]; 3,3'-Dihydroxydipropyl Ether; 3,3'-Oxybis(propan-1-ol); 3,3'-Oxybis-1-propanol; 1-Propanol, 3,3'-oxybis-; NSC-362072; 4-oxa-1,7-heptanediol; 1,3-Dipropylene glycol; bis(3-hydroxypropyl) ether; 3-(3-Hydroxypropoxy)-1-propanol; 4-Oxaheptane-1,7-diol; Propanol-PEG1-CH2OH |
IUPAC Name: | 3-(3-hydroxypropoxy)propan-1-ol |
Description: | 3,3'-Oxydipropan-1-ol is a polyethylene glycol (PEG)-based PROTAC linker that can be used in the synthesis of a series of PROTACs. |
Molecular Weight: | 134.18 |
Molecular Formula: | C6H14O3 |
Canonical SMILES: | C(CO)COCCCO |
InChI: | InChI=1S/C6H14O3/c7-3-1-5-9-6-2-4-8/h7-8H,1-6H2 |
InChI Key: | SZXQTJUDPRGNJN-UHFFFAOYSA-N |
Boiling Point: | 148-162°C at 15 Torr |
Purity: | ≥95% |
Density: | 1.040±0.06 g/cm3 (Predicted) |
Solubility: | Soluble in Chloroform |
Appearance: | Colorless Oily Matter |
Storage: | Store at 2-8°C under inert atmosphere |
References: | Calogero, F., et al. Eur. J. Org. Chem., 2015, 6011 (2015); Petrov, V.I., et al. Chem. Heterocyc. Compd., 39, 1218 (2003). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | 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 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
18940196 | 20090101 | The influence of Metolose structure on the free volume and the consequent metoprolol tartrate release of patches | International journal of biological macromolecules |
18855439 | 20081101 | Extensional properties of hydroxypropyl ether guar gum solutions | Biomacromolecules |
Complexity: | 41.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 134.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 134.094294304 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 49.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.6 |
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