5-Hydroxy-2-pentanone - CAS 1071-73-4
Catalog: |
BB001988 |
Product Name: |
5-Hydroxy-2-pentanone |
CAS: |
1071-73-4 |
Synonyms: |
5-hydroxypentan-2-one |
IUPAC Name: | 5-hydroxypentan-2-one |
Description: | 5-Hydroxy-2-pentanone (CAS# 1071-73-4) is a substrate for alcohol dehydrogenase and is an intermediate in the synthesis of Didesethyl Chloroquine (D440960), a metabolite of Chloroquine. |
Molecular Weight: | 102.13 |
Molecular Formula: | C5H10O2 |
Canonical SMILES: | CC(=O)CCCO |
InChI: | InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h6H,2-4H2,1H3 |
InChI Key: | JSHPTIGHEWEXRW-UHFFFAOYSA-N |
Boiling Point: | 144-145 °C (100 mmHg) |
Purity: | 95 % |
Density: | 1.007 g/cm3 |
Appearance: | Clear colorless liquid |
Storage: | Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00002961 |
LogP: | 0.34790 |
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PMID | Publication Date | Title | Journal |
22623220 | 20120801 | Mass transfer trends occurring in engineered ex vivo tissue scaffolds | Journal of biomedical materials research. Part A |
22590382 | 20120501 | 3-(2,4-Dichloro-phen-yl)-5-(4-fluoro-phen-yl)-2-methyl-7-(trifluoro-meth-yl)pyrazolo-[1,5-a]pyrimidine | Acta crystallographica. Section E, Structure reports online |
22606090 | 20120401 | 1-(2,4-Dichloro-phen-yl)-5-(2-nitro-anilino)-1H-pyrazole-4-carbonitrile | Acta crystallographica. Section E, Structure reports online |
22346952 | 20120201 | (E)-1-(Furan-2-yl)-3-(2,4,5-trimeth-oxy-phen-yl)prop-2-en-1-one | Acta crystallographica. Section E, Structure reports online |
22275836 | 20120101 | RGD-modified poly(D,L-lactic acid) nanoparticles enhance tumor targeting of oridonin | International journal of nanomedicine |
Complexity: | 59.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 102.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 102.068079557 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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