cis-13-Docosenoamide - CAS 112-84-5
Catalog: |
BB003057 |
Product Name: |
cis-13-Docosenoamide |
CAS: |
112-84-5 |
Synonyms: |
Erucamide; (13Z)-13-Docosenamide; Adogen 58; Alflow 10; Alflow P 10; Amide E; Erucylamide; 13-Docosenamide, (13Z)-; 13-Docosenamide, (Z)-; Erucilamide; (Z)-13-Docosenamide; Plastic additive 13; 13Z-Docosenamide; (13Z)-docos-13-enamide |
IUPAC Name: | (Z)-docos-13-enamide |
Description: | Erucamide is the amide of docosenoic acid. It was first identified in the cerebrospinal fluid of sleep-deprived cats. It has also been detected in the cerebrospinal fluid of rats and humans. |
Molecular Weight: | 337.58 |
Molecular Formula: | C22H43NO |
Canonical SMILES: | CCCCCCCCC=CCCCCCCCCCCCC(=O)N |
InChI: | InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9- |
InChI Key: | UAUDZVJPLUQNMU-KTKRTIGZSA-N |
Boiling Point: | 474.2±14.0°C at 760 mmHg |
Melting Point: | 81-82°C |
Flash Point: | 240.6°C |
Purity: | ≥95% |
Density: | 0.874±0.1 g/cm3 |
Solubility: | Soluble in Chloroform (Slightly), Ethyl Acetate (Slightly, Heated), Methanol (Slightly, Heated) |
Appearance: | White to Off-white Solid |
Storage: | Store at 2-8°C |
MDL: | MFCD00882379 |
LogP: | 7.76990 |
Stability: | Stable. Incompatible with strong oxidizing agents. |
Vapor Pressure: | 0.00000001 [mmHg] |
GHS Hazard Statement: | H315 (99.62%): 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 |
27633901 | 20161201 | Screening of endocrine activity of compounds migrating from plastic baby bottles using a multi-receptor panel of in vitro bioassays | Toxicology in vitro : an international journal published in association with BIBRA |
20236316 | 20100401 | Helicobacter pylori acidic stress response factor HP1286 is a YceI homolog with new binding specificity | The FEBS journal |
19857868 | 20091127 | Method for determination of fatty acid amides in polyethylene packaging materials--gas chromatography/mass spectrometry | Journal of chromatography. A |
19470712 | 20090601 | Extraction, identification, and functional characterization of a bioactive substance from automated compound-handling plastic tips | Journal of biomolecular screening |
18460145 | 20080501 | Characterization of bacteriocin-coated antimicrobial polyethylene films by atomic force microscopy | Journal of food science |
Complexity: | 286 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 337.334464995 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 337.334464995 |
Rotatable Bond Count: | 19 |
Topological Polar Surface Area: | 43.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 8.8 |
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