12-Bromo-1-dodecanol - CAS 3344-77-2
Catalog: |
BB021717 |
Product Name: |
12-Bromo-1-dodecanol |
CAS: |
3344-77-2 |
Synonyms: |
12-bromododecan-1-ol |
IUPAC Name: | 12-bromododecan-1-ol |
Description: | 12-Bromo-1-dodecanol (CAS# 3344-77-2) is a skin sensitizer. |
Molecular Weight: | 265.23 |
Molecular Formula: | C12H25BrO |
Canonical SMILES: | C(CCCCCCBr)CCCCCO |
InChI: | InChI=1S/C12H25BrO/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h14H,1-12H2 |
InChI Key: | ASIDMJNTHJYVQJ-UHFFFAOYSA-N |
Boiling Point: | 299.5 °C at 760 mmHg, 155 °C4 mmHg (lit.) |
Melting Point: | 34-36 °C (lit.) |
Purity: | > 98.0 % (GC) |
Density: | 1.117 g/cm3 |
MDL: | MFCD00004754 |
LogP: | 4.27460 |
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PMID | Publication Date | Title | Journal |
19527698 | 20090901 | First total synthesis and antiprotozoal activity of (Z)-17-methyl-13-octadecenoic acid, a new marine fatty acid from the sponge Polymastia penicillus | Chemistry and physics of lipids |
17980049 | 20071105 | Alternative methods of globotrioside production using Vero cells: a microcarrier system procedure | Chemistry Central journal |
12217077 | 20030101 | Solution structure of a chemosensory protein from the moth Mamestra brassicae | The Biochemical journal |
12224637 | 20020701 | Synthesis of (2S,2'R,3S,4R)-2-(2'-hydroxy-21'-methyidocosanoylamino)-1,3,4-pentadecanetriol, the ceramide sex pheromone of the female hair crab, Erimacrus isenbeckii | Bioscience, biotechnology, and biochemistry |
11302191 | 20010201 | Synthesis and absolute configuration of MQ-A3 [1-(14'-methylhexadecanoyl) pyrrolidine], a novel aliphatic pyrrolidine amide from the tropical convolvulaceous species | Bioscience, biotechnology, and biochemistry |
Complexity: | 96.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 264.10888 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 264.10888 |
Rotatable Bond Count: | 11 |
Topological Polar Surface Area: | 20.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.5 |
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