12-Bromododecanoic acid - CAS 73367-80-3
Catalog: |
BB034831 |
Product Name: |
12-Bromododecanoic acid |
CAS: |
73367-80-3 |
Synonyms: |
12-bromododecanoic acid |
IUPAC Name: | 12-bromododecanoic acid |
Description: | 12-Bromododecanoic acid (CAS# 73367-80-3) is a compound of research interest in the study of the structure bovine β-lactoglobulin, as well as an intermediate in the preparation of substrates for the study of Cytochrome P450 BM3. |
Molecular Weight: | 279.21 |
Molecular Formula: | C12H23BrO2 |
Canonical SMILES: | C(CCCCCC(=O)O)CCCCCBr |
InChI: | InChI=1S/C12H23BrO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11H2,(H,14,15) |
InChI Key: | YYKBWYBUCFHYPR-UHFFFAOYSA-N |
Boiling Point: | 367.8 °C at 760 mmHg |
Melting Point: | 52-55 °C |
Purity: | 95 % |
Density: | 1.191 g/cm3 |
MDL: | MFCD00002738 |
LogP: | 4.36690 |
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 |
15849199 | 20050617 | Calibration of the channel that determines the omega-hydroxylation regiospecificity of cytochrome P4504A1: catalytic oxidation of 12-HALODOdecanoic acids | The Journal of biological chemistry |
11371462 | 20010601 | Detergents as probes of hydrophobic binding cavities in serum albumin and other water-soluble proteins | Biophysical journal |
9191015 | 19970501 | In vitro antiviral activities of myristic acid analogs against human immunodeficiency and hepatitis B viruses | Antiviral research |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 278.08814 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 278.08814 |
Rotatable Bond Count: | 11 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5 |
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