Cyclopentanecarboxaldehyde - CAS 872-53-7
Catalog: |
BB038360 |
Product Name: |
Cyclopentanecarboxaldehyde |
CAS: |
872-53-7 |
Synonyms: |
cyclopentanecarbaldehyde |
IUPAC Name: | cyclopentanecarbaldehyde |
Description: | Cyclopentanecarboxaldehyde (CAS# 872-53-7) is a useful synthetic intermediate. It is used to synthesize diketopiperazines as potent and selective oxytocin antagonists. It is also used to prepare dihydroquinazolinamines with antiinflammatory activities. |
Molecular Weight: | 98.14 |
Molecular Formula: | C6H10O |
Canonical SMILES: | C1CCC(C1)C=O |
InChI: | InChI=1S/C6H10O/c7-5-6-3-1-2-4-6/h5-6H,1-4H2 |
InChI Key: | VELDYOPRLMJFIK-UHFFFAOYSA-N |
Boiling Point: | 140-141 °C |
Density: | 0.919 g/cm3 |
MDL: | MFCD00060798 |
LogP: | 1.37550 |
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 |
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PMID | Publication Date | Title | Journal |
21964353 | 20111201 | Life cycle stage-resolved proteomic analysis of the excretome/secretome from Strongyloides ratti--identification of stage-specific proteases | Molecular & cellular proteomics : MCP |
21978949 | 20111101 | 3,4-Disubstituted oxazolidin-2-ones as constrained ceramide analogs with anticancer activities | Bioorganic & medicinal chemistry |
18821258 | 20081001 | Synthesis and biological evaluation of new donepezil-like Thiaindanones as AChE inhibitors | Journal of enzyme inhibition and medicinal chemistry |
16833864 | 20050616 | Atmospheric chemistry of C3-C6 cycloalkanecarbaldehydes | The journal of physical chemistry. A |
11983517 | 20020701 | 4-Phenylbutanoyl-2(S)-acylpyrrolidines and 4-phenylbutanoyl-L-prolyl-2(S)-acylpyrrolidines as prolyl oligopeptidase inhibitors | Bioorganic & medicinal chemistry |
Complexity: | 62.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 98.073164938 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 98.073164938 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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