1-cyclopentylethan-1-one - CAS 6004-60-0
Catalog: |
BB030591 |
Product Name: |
1-cyclopentylethan-1-one |
CAS: |
6004-60-0 |
Synonyms: |
Cyclopentyl Methyl Ketone; 1-Acetylcyclopentane; Acetylcyclopentane; Cyclopentyl Methyl Ketone; Cyclopentylethanone; NSC 49209; Ethanone, 1-cyclopentyl-(9CI) |
IUPAC Name: | 1-cyclopentylethanone |
Description: | 1-cyclopentylethan-1-one (CAS# 6004-60-0) is used in the preparation of small molecule inhibitors of rifampicin resistant Staphylococcus aureus. An antibacterial agent. Also used in the synthesis of non-quinoline leukotriene D4 (LTD4) receptor antagonists. |
Molecular Weight: | 112.17 |
Molecular Formula: | C7H12O |
Canonical SMILES: | CC(=O)C1CCCC1 |
InChI: | InChI=1S/C7H12O/c1-6(8)7-4-2-3-5-7/h7H,2-5H2,1H3 |
InChI Key: | LKENTYLPIUIMFG-UHFFFAOYSA-N |
Boiling Point: | 160.0 °C at 760 mmHg |
Melting Point: | 158.5 °C |
Purity: | > 98 % |
Density: | 0.935 g/cm3 |
Solubility: | Miscible with Water |
Appearance: | Colorless liquid |
Storage: | -20 °C |
MDL: | MFCD00060799 |
LogP: | 1.76560 |
GHS Hazard Statement: | H226 (66.67%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P305+P351+P338, P330, P337+P313, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112782302-A | Method for measuring acetyl content by derivatization-tandem liquid chromatography mass spectrometry | 20201226 |
CN-112441989-A | Preparation method and application of flumazenil intermediate 5-fluoroisatoic anhydride | 20201116 |
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CN-111269097-A | Synthesis method of polycyclic disubstituted 1, 3-propanedione compound | 20200402 |
WO-2021193354-A1 | Resin composition, wiring board and method for producing conductive pattern | 20200327 |
Complexity: | 90.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 112.088815002 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 112.088815002 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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