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. : | 479065-36-6 | MDL No. : | MFCD18366253 |
Formula : | C6H13NO | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | JCIAQQOICXUMNX-UHFFFAOYSA-N |
M.W : | 115.17 | Pubchem ID : | 21054629 |
Synonyms : |
|
Num. heavy atoms : | 8 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 1.0 |
Num. rotatable bonds : | 1 |
Num. H-bond acceptors : | 2.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 32.63 |
TPSA : | 35.25 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) : | -7.03 cm/s |
Log Po/w (iLOGP) : | 1.61 |
Log Po/w (XLOGP3) : | -0.04 |
Log Po/w (WLOGP) : | 0.37 |
Log Po/w (MLOGP) : | 0.21 |
Log Po/w (SILICOS-IT) : | 0.86 |
Consensus Log Po/w : | 0.6 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -0.46 |
Solubility : | 39.7 mg/ml ; 0.344 mol/l |
Class : | Very soluble |
Log S (Ali) : | -0.25 |
Solubility : | 64.8 mg/ml ; 0.562 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -0.52 |
Solubility : | 34.8 mg/ml ; 0.302 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.42 |
Signal Word: | Danger | Class: | 3,8 |
Precautionary Statements: | P210-P240-P241-P242-P243-P261-P264-P270-P271-P280-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501 | UN#: | 2924 |
Hazard Statements: | H225-H302-H312-H315-H318-H332-H335 | 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 2h; Inert atmosphere; Cooling with ice; | 31 Under nitrogen atmosphere, a mixture of 1- ( tetrahydrofuran-3-yl ) ethylamine and anhydrous tetrahydrofuran was cooled under ice-bath, then, to the mixture, 0.67 g of (2E, 4E ) -nona-2 , 4-dienoyl chloride was dropwised. After dropwise, the mixture was taken from ice- bath and stirred for 2 hours. The reaction mixture was filtered, then, the filtrate was concentrated under reduced pressure. The residue was purified by silica gel column chromatography to give 0.21 g of (2E, 4E)-N-[1- ( tetrahydrofuran-3-yl) ethyl] nona-2, 4-dienamide of the following formula (hereinafter, referred to as The Present Compound (31) ) . The Present Compound (31)XH N R (CDC13) : δ ρριη: 0.90 (3H, t), 1.18 (3H, dd) , 1.28-1.44 (4H, m) , 1.70 (1H, tt), 2.00 (1H, dt) , 2.15 (2H, q) , 2.26-2.34 (1H, m) , 3.48 (0.5H, t) , 3.66-3.80 (2. OH, m) , 3.84-3.92 (1.5H, m) , 4.06-4.17 (1H, m) , 5.32 (0.5H, br s), 5.46 (0.5H, br s), 5.71 (1H, dd) , 6.06-6.16 (2H, m) , 7.14- 7.22 (lH,m) |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
55% | With sodium tris(acetoxy)borohydride In dichloromethane at 20℃; for 60h; Sealed tube; |