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[ CAS No. 51-15-0 ] {[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| 51-15-0
Chemical Structure| 51-15-0
Structure of 51-15-0 * Storage: {[proInfo.prStorage]}
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Product Details of [ 51-15-0 ]

CAS No. :51-15-0 MDL No. :MFCD00011981
Formula : C7H9ClN2O Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 172.61 Pubchem ID :-
Synonyms :
2-PAM chloride;Pralidoxime (chloride);2-PAM;2-PAM (chloride)
Chemical Name :2-((Hydroxyimino)methyl)-1-methylpyridin-1-ium chloride

Calculated chemistry of [ 51-15-0 ]

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.14
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 45.27
TPSA : 36.47 Ų

Pharmacokinetics

GI absorption : Low
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) : -6.05 cm/s

Lipophilicity

Log Po/w (iLOGP) : -2.42
Log Po/w (XLOGP3) : 1.84
Log Po/w (WLOGP) : -2.68
Log Po/w (MLOGP) : 0.39
Log Po/w (SILICOS-IT) : 0.82
Consensus Log Po/w : -0.41

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.41
Solubility : 0.676 mg/ml ; 0.00392 mol/l
Class : Soluble
Log S (Ali) : -2.23
Solubility : 1.02 mg/ml ; 0.00594 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.08
Solubility : 14.4 mg/ml ; 0.0836 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 4.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.83

Safety of [ 51-15-0 ]

Signal Word:Danger Class:9
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P362+P364-P403+P233-P501 UN#:3077
Hazard Statements:H315-H318-H335-H411 Packing Group:
GHS Pictogram:
Same Skeleton Products
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Similar Product of
[ 51-15-0 ]

Chemical Structure| 6735-59-7

A1325830[ 6735-59-7 ]

2-((hydroxyimino)methyl)-1-methylpyridin-1-ium

Reason: Free-Salt