There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.
Type | HazMat fee for 500 gram (Estimated) |
Excepted Quantity | USD 0.00 |
Limited Quantity | USD 15-60 |
Inaccessible (Haz class 6.1), Domestic | USD 80+ |
Inaccessible (Haz class 6.1), International | USD 150+ |
Accessible (Haz class 3, 4, 5 or 8), Domestic | USD 100+ |
Accessible (Haz class 3, 4, 5 or 8), International | USD 200+ |
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CAS No. : | 7560-83-0 | MDL No. : | MFCD00014289 |
Formula : | C13H25N | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | GSCCALZHGUWNJW-UHFFFAOYSA-N |
M.W : | 195.34 | Pubchem ID : | 24210 |
Synonyms : |
|
Num. heavy atoms : | 14 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 1.0 |
Num. rotatable bonds : | 2 |
Num. H-bond acceptors : | 1.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 63.27 |
TPSA : | 3.24 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | No |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -4.86 cm/s |
Log Po/w (iLOGP) : | 3.18 |
Log Po/w (XLOGP3) : | 3.71 |
Log Po/w (WLOGP) : | 3.58 |
Log Po/w (MLOGP) : | 3.29 |
Log Po/w (SILICOS-IT) : | 2.87 |
Consensus Log Po/w : | 3.33 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 2.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -3.26 |
Solubility : | 0.108 mg/ml ; 0.000554 mol/l |
Class : | Soluble |
Log S (Ali) : | -3.47 |
Solubility : | 0.0663 mg/ml ; 0.00034 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -2.48 |
Solubility : | 0.647 mg/ml ; 0.00331 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 2.0 |
Synthetic accessibility : | 1.55 |
Signal Word: | Danger | Class: | 8 |
Precautionary Statements: | P501-P270-P264-P280-P303+P361+P353-P301+P330+P331-P363-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P405 | UN#: | 2735 |
Hazard Statements: | H302-H314 | Packing Group: | Ⅲ |
GHS Pictogram: |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
95% | With phenylboronic acid In 1,2-dichloro-ethane at 80℃; for 0.25 h; | General procedure: Phenylboronic acid (1.0 equiv. for aliphatic N-oxides and 1.5 equiv. for pyridine N-oxides) and tert-amine N-oxide (1 mmol) was stirred in dichloroethane (2 mL) at appropriate temperature (80 oC and 120 oC respectively) in a pressure tube. The progress of the reaction was monitoredby using TLC. After completion, the reaction mixture was diluted with ethyl acetate and washed with water and NaOH solution (1 normal, 3*5 mL). The organic layer was dried over anhydrous sodium sulfate, evaporated and subjected to the column chromatography to obtain pure products. |
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