Bis(2-methoxyethyl)amine - CAS 111-95-5
Catalog: |
BB002836 |
Product Name: |
Bis(2-methoxyethyl)amine |
CAS: |
111-95-5 |
Synonyms: |
2-methoxy-N-(2-methoxyethyl)ethanamine |
IUPAC Name: | 2-methoxy-N-(2-methoxyethyl)ethanamine |
Description: | Bis(2-methoxyethyl)amine (CAS# 111-95-5) is used to prepare pyrido[2,3-d]pyrimidin-7-ones as selective inhibitors of cyclin-dependent kinases 4 and 6. It is also used to synthesize (pyridyl)pyrazolopyrimidines as corticotropin-releasing factor receptor antagonists. |
Molecular Weight: | 133.19 |
Molecular Formula: | C6H15NO2 |
Canonical SMILES: | COCCNCCOC |
InChI: | InChI=1S/C6H15NO2/c1-8-5-3-7-4-6-9-2/h7H,3-6H2,1-2H3 |
InChI Key: | IBZKBSXREAQDTO-UHFFFAOYSA-N |
Boiling Point: | 169-173 °C |
Melting Point: | -60 °C |
Purity: | 95 % |
Density: | 0.902 g/mL at 25°C(lit.) |
Appearance: | Colorless to yellow liquid |
Storage: | Keep in dark place, Inert atmosphere, Room temperature |
MDL: | MFCD00025906 |
LogP: | 0.25970 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P403+P235, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
15962942 | 20050601 | Prediction of genotoxicity of chemical compounds by statistical learning methods | Chemical research in toxicology |
12098328 | 20020712 | Ammonia free partial reduction of aromatic compounds using lithium di-tert-butylbiphenyl (LiDBB) | The Journal of organic chemistry |
Complexity: | 44.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 133.110278721 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 133.110278721 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 30.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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