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. : | 89381-13-5 | MDL No. : | MFCD00100903 |
Formula : | C5H11NO | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | JFFOUICIRBXFRC-UHFFFAOYSA-N |
M.W : | 101.15 | Pubchem ID : | 143443 |
Synonyms : |
|
Num. heavy atoms : | 7 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 1.0 |
Num. rotatable bonds : | 0 |
Num. H-bond acceptors : | 2.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 27.9 |
TPSA : | 46.25 Ų |
GI absorption : | High |
BBB permeant : | No |
P-gp substrate : | No |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -7.22 cm/s |
Log Po/w (iLOGP) : | 1.34 |
Log Po/w (XLOGP3) : | -0.42 |
Log Po/w (WLOGP) : | -0.14 |
Log Po/w (MLOGP) : | -0.16 |
Log Po/w (SILICOS-IT) : | 0.14 |
Consensus Log Po/w : | 0.15 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -0.2 |
Solubility : | 63.5 mg/ml ; 0.627 mol/l |
Class : | Very soluble |
Log S (Ali) : | -0.09 |
Solubility : | 82.9 mg/ml ; 0.819 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | 0.2 |
Solubility : | 162.0 mg/ml ; 1.6 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.65 |
Signal Word: | Danger | Class: | 9 |
Precautionary Statements: | P264-P270-P271-P272-P280-P303+P361+P353-P304+P340-P305+P351+P338-P310-P330-P331-P363-P403+P233-P501 | UN#: | 3082 |
Hazard Statements: | H302-H314-H317-H410 | 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 |
---|---|---|
98.8 %Chromat. | With 1,3-dichlorotetrabutyldistannoxane at 80℃; for 1h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With triethylamine In dichloromethane at 0 - 25℃; for 5.08333h; Inert atmosphere; | Step 1. Into a 50 mL round-bottom flask purged and maintained with an inert atmosphere of nitrogen was placed a solution of 2-aminocyclopentan-l -ol (1.0 g, 9.9 mmol) and TEA (4.0 g, 40 mmol) in dichloromethane (25 mL). The resulting solution was stirred for 5 min at 0 °C. This was followed by the addition of di-tert-butyl dicarbonate (2374.4 mg, 10.88 mmol) dropwise with stirring at 0° C. The resulting solution was allowed to stir for an additional 5 h at 25 °C, then washed with 2x100 mL of water, dried over Na2SC>4, filtered and concentrated under reduced pressure. This resulted in tert-butyl N-(2-hydroxycyclopentyl)carbamate as a solid. MS [M+H]+ 202. |
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