Decanoyl chloride - CAS 112-13-0
Catalog: |
BB002882 |
Product Name: |
Decanoyl chloride |
CAS: |
112-13-0 |
Synonyms: |
decanoyl chloride |
IUPAC Name: | decanoyl chloride |
Description: | Decanoyl chloride (CAS# 112-13-0) is used in the synthesis of an effective metalloproteinase inhibitor. Also acts as a reagent in the synthesis of reversible α-ketoheterocycle inhibitors of fatty acid amide hydrolase as potnetial analgesics. |
Molecular Weight: | 190.71 |
Molecular Formula: | C10H19ClO |
Canonical SMILES: | CCCCCCCCCC(=O)Cl |
InChI: | InChI=1S/C10H19ClO/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3 |
InChI Key: | IPIVAXLHTVNRBS-UHFFFAOYSA-N |
Boiling Point: | 232 °C |
Density: | 0.919 g/cm3 |
Appearance: | Clear liquid |
Storage: | Inert atmosphere, Room Temperature |
MDL: | MFCD00000771 |
LogP: | 3.89250 |
GHS Hazard Statement: | H290 (15.96%): May be corrosive to metals [Warning Corrosive to Metals] |
Precautionary Statement: | P234, P260, P264, P270, P280, P301+P310, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P390, P404, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
18627130 | 20080722 | Mechanism of the quorum-quenching lactonase (AiiA) from Bacillus thuringiensis. 2. Substrate modeling and active site mutations | Biochemistry |
15501670 | 20050301 | Biocatalysis using an organic-soluble enzyme for the preparation of poly(lactic acid) in organic solvents | Bioresource technology |
Complexity: | 112 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.1124429 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.1124429 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.1 |
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