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[ CAS No. 848641-69-0 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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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+
Chemical Structure| 848641-69-0
Chemical Structure| 848641-69-0
Structure of 848641-69-0 * Storage: {[proInfo.prStorage]}

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Product Details of [ 848641-69-0 ]

CAS No. :848641-69-0 MDL No. :MFCD09953486
Formula : C10H21N2O4P Boiling Point : No data available
Linear Structure Formula :- InChI Key :HQWOEDCLDNFWEV-UHFFFAOYSA-M
M.W : 264.26 Pubchem ID :53316406
Synonyms :
Chemical Name :1-ethyl-3-methylimidazolium diethylphosphate

Calculated chemistry of [ 848641-69-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 17
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.7
Num. rotatable bonds : 5
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 65.9
TPSA : 77.21 ?2

Pharmacokinetics

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) : -7.8 cm/s

Lipophilicity

Log Po/w (iLOGP) : -1.66
Log Po/w (XLOGP3) : 0.16
Log Po/w (WLOGP) : 1.93
Log Po/w (MLOGP) : -0.22
Log Po/w (SILICOS-IT) : 0.26
Consensus Log Po/w : 0.09

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.47
Solubility : 9.02 mg/ml ; 0.0341 mol/l
Class : Very soluble
Log S (Ali) : -1.34
Solubility : 12.1 mg/ml ; 0.0459 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.71
Solubility : 52.0 mg/ml ; 0.197 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.92

Safety of [ 848641-69-0 ]

Signal Word:Danger Class:8
Precautionary Statements:P280-P305+P351+P338-P310 UN#:3265
Hazard Statements:H302-H314 Packing Group:
GHS Pictogram:
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