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. : | 18903-04-3 | MDL No. : | MFCD09811502 |
Formula : | C8H16N2O | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | OGQQJMSDOICEAR-UHFFFAOYSA-N |
M.W : | 156.23 | Pubchem ID : | 10749434 |
Synonyms : |
|
Num. heavy atoms : | 11 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 0.88 |
Num. rotatable bonds : | 3 |
Num. H-bond acceptors : | 2.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 52.18 |
TPSA : | 32.34 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) : | -7.32 cm/s |
Log Po/w (iLOGP) : | 1.98 |
Log Po/w (XLOGP3) : | -0.1 |
Log Po/w (WLOGP) : | -0.54 |
Log Po/w (MLOGP) : | 0.28 |
Log Po/w (SILICOS-IT) : | 0.95 |
Consensus Log Po/w : | 0.51 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -0.55 |
Solubility : | 44.3 mg/ml ; 0.283 mol/l |
Class : | Very soluble |
Log S (Ali) : | -0.13 |
Solubility : | 117.0 mg/ml ; 0.747 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -1.51 |
Solubility : | 4.85 mg/ml ; 0.031 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.24 |
Signal Word: | Danger | Class: | 8 |
Precautionary Statements: | P260-P264-P270-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P403+P233-P405-P501 | UN#: | 2735 |
Hazard Statements: | H302-H335-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 |
---|---|---|
In tetrahydrofuran for 1h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
89% | With triethylamine In dichloromethane at -10 - 20℃; | |
85% | With pyridine In methanol; dichloromethane at 20℃; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
1-Butyryl-4-formyl-piperazin, NaH; | ||
(yield)53.8percent; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With triethylamine In acetonitrile at 20℃; for 2h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With triethylamine In acetonitrile at 20℃; for 2h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With triethylamine In acetonitrile at 20℃; for 2h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With triethylamine In acetonitrile at 20℃; for 2h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With hydrogen In methanol at 20℃; | ||
With hydrogen In ethanol for 12h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
68% | In acetonitrile at 110℃; for 1h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
89% | Stage #1: butyric acid With N-Bromosuccinimide; triphenylphosphine In dichloromethane at 0 - 5℃; for 0.25h; Stage #2: piperazine With pyridine In dichloromethane at 20℃; for 0.416667h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
85% | In ethyl acetate at 20 - 60℃; | General procedure: The mixture of compound 3 (1g, 4.6mmol) and 95% ethanol (30ml) was added to morpholine (0.4g, 4.6mmol).The mixture was stirred at room temperature for 30min, then warmed up to 60°C. After the starting 3 was completely consumed (the reaction courses was monitored by TLC), evaporation of the ethanol, the crude yellow compound 4j was obtained and purified by preparative thin-layer chromatography over silica gel PF 254 (2mm, ethyl acetate: petroleum ether=1:1). Yield: 78%. |
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