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. : | 10603-52-8 | MDL No. : | MFCD05662780 |
Formula : | C12H14N2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | RYCQUUNQHVAFSM-UHFFFAOYSA-N |
M.W : | 186.25 | Pubchem ID : | 4674579 |
Synonyms : |
|
Num. heavy atoms : | 14 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.42 |
Num. rotatable bonds : | 2 |
Num. H-bond acceptors : | 2.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 59.89 |
TPSA : | 27.03 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) : | -6.29 cm/s |
Log Po/w (iLOGP) : | 2.18 |
Log Po/w (XLOGP3) : | 1.61 |
Log Po/w (WLOGP) : | 1.5 |
Log Po/w (MLOGP) : | 1.65 |
Log Po/w (SILICOS-IT) : | 2.22 |
Consensus Log Po/w : | 1.83 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -2.19 |
Solubility : | 1.19 mg/ml ; 0.00639 mol/l |
Class : | Soluble |
Log S (Ali) : | -1.79 |
Solubility : | 3.02 mg/ml ; 0.0162 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -3.1 |
Solubility : | 0.147 mg/ml ; 0.000787 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.71 |
Signal Word: | Danger | Class: | 6.1 |
Precautionary Statements: | P301+P310-P305+P351+P338 | UN#: | 3439 |
Hazard Statements: | H301-H319 | 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 |
---|---|---|
58% | With hydrogenchloride In 1,4-dioxane | A solution of 159B (1.5g, 7.9 [MMOL)] in [ETOH] (40 ml) was treated with 4M [HCI-] dioxane (20 ml) and stirred overnight. The reaction mixture was cooled to [0 °C,] treated with saturated aqueous [NAHC03] until neutralized, and extracted with EtOAc. The organic layer was dried over [NA2SO4] and concentrated. Flash chromatography (35-50percent EtOAc/hexane) provided 159C (1.1 g, 58percent). |
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