N,N-Diethyl-2-hydroxyacetamide - CAS 39096-01-0
Catalog: |
BB023836 |
Product Name: |
N,N-Diethyl-2-hydroxyacetamide |
CAS: |
39096-01-0 |
Synonyms: |
N,N-diethyl-2-hydroxyacetamide |
IUPAC Name: | N,N-diethyl-2-hydroxyacetamide |
Description: | N,N-Diethyl-2-hydroxyacetamide (CAS# 39096-01-0) is a reactant used in the synthesis of phosphonate prodrugs to increase the oral bioavailability of an antiviral agent 9-[2-(Phosphonomethoxy)ethyl]adenine (PMEA). |
Molecular Weight: | 131.17 |
Molecular Formula: | C6H13NO2 |
Canonical SMILES: | CCN(CC)C(=O)CO |
InChI: | InChI=1S/C6H13NO2/c1-3-7(4-2)6(9)5-8/h8H,3-5H2,1-2H3 |
InChI Key: | RZCCQWOCSZOHMQ-UHFFFAOYSA-N |
Boiling Point: | 238 °C (lit.) |
Density: | 1.009 g/cm3 |
Appearance: | Yellow liquid |
MDL: | MFCD01863701 |
LogP: | -0.15290 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021015829-A1 | Cyclic trex1 inhibitors | 20190408 |
US-2020031794-A1 | 4-phenyl-coumarin derivatives, processes for their preparation and uses thereof for the treatment of cancer | 20180725 |
WO-2020014332-A1 | Adenosine receptor binding compounds | 20180710 |
CN-112423758-A | Adenosine receptor binding compounds | 20180710 |
EP-3820474-A1 | Adenosine receptor binding compounds | 20180710 |
PMID | Publication Date | Title | Journal |
17447816 | 20070525 | Synthesis and determination of the absolute configuration of chiral tetracosanaphthalenes | The Journal of organic chemistry |
Complexity: | 89.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 131.094628657 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 131.094628657 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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