Purity | Size | Price | VIP Price | USA Stock *0-1 Day | Global Stock *5-7 Days | Quantity | |||||
{[ item.p_purity ]} | {[ item.pr_size ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} | Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]} | {[ item.pr_usastock ]} | Inquiry - | {[ item.pr_chinastock ]} | Inquiry - |
* Storage: {[proInfo.prStorage]}
CAS No. : | 17220-38-1 | MDL No. : | MFCD00138084 |
Formula : | C2H4N4O | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | JHJVSUCUNFXIHN-UHFFFAOYSA-N |
M.W : | 100.08 | Pubchem ID : | 537677 |
Synonyms : |
|
Num. heavy atoms : | 7 |
Num. arom. heavy atoms : | 5 |
Fraction Csp3 : | 0.0 |
Num. rotatable bonds : | 0 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 23.11 |
TPSA : | 90.96 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) : | -7.26 cm/s |
Log Po/w (iLOGP) : | 0.54 |
Log Po/w (XLOGP3) : | -0.49 |
Log Po/w (WLOGP) : | -0.75 |
Log Po/w (MLOGP) : | -1.44 |
Log Po/w (SILICOS-IT) : | -0.27 |
Consensus Log Po/w : | -0.48 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 2.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -0.68 |
Solubility : | 20.9 mg/ml ; 0.209 mol/l |
Class : | Very soluble |
Log S (Ali) : | -0.95 |
Solubility : | 11.2 mg/ml ; 0.111 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -0.07 |
Solubility : | 85.4 mg/ml ; 0.853 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.64 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H335 | Packing Group: | N/A |
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 |
---|---|---|
52% | With potassium hydroxide In ethylene glycol at 120 - 170℃; for 1 h; | EXAMPLE 1 Diaminofurazan. In a 500-ml round bottom flask equipped with a mechanical stirrer and a thermometer, ethylene glycol (150 ml) was heated to 120° C., and to this solution were added diaminoglyoxime (50 g, 0.42 mol) and then potassium hydroxide (24 g, 0.42 mol). The reaction mixture was heated at 170° C. for one hour. The clear solution was cooled to room temperature and poured into a mixture of ice (500 g) and water (100 ml). The mixture was shaken for five minutes until solid crystals of diaminofurazan were formed. The precipitate was filtered and washed with 20 ml of cold water and air-dried overnight to give 22 g (52percent) of off-white solid: mp 179-181° C. lit Gunasekaran, A. et al, supra, 179-180° C.; 1H NMR (DMSO-d6), 5.81 (s) ppm. |
52% | at 165℃; for 0.5 h; | EXAMPLE 2 A solution of diaminoglyoxime (1.80 g, 15 mmol) in 5.0 ml of ethylene glycol was heated at 165° C. for 30 minutes. The clear solution was then cooled to 25° C. and diluted with 50 ml of cold water. The resulting solution was saturated with sodium chloride and subsequently extracted with ethyl acetate (3*50 ml). The combined organic layer was washed with brine and dried over MgSO4. Concentration by rotary evaporation gave pure diaminofurazan (780 mg, 52percent). |
[ 13490-32-9 ]
4-Amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide
Similarity: 0.65
[ 13490-32-9 ]
4-Amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide
Similarity: 0.65