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[ CAS No. 51-74-1 ] {[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| 51-74-1
Chemical Structure| 51-74-1
Structure of 51-74-1 * Storage: {[proInfo.prStorage]}
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Product Details of [ 51-74-1 ]

CAS No. :51-74-1 MDL No. :MFCD00064316
Formula : C5H15N3O8P2 Boiling Point : -
Linear Structure Formula :- InChI Key :ZHIBQGJKHVBLJJ-UHFFFAOYSA-N
M.W : 307.14 Pubchem ID :65513
Synonyms :
Histamine phosphate
Chemical Name :2-(1H-Imidazol-4-yl)ethan-1-amine bis(phosphate)

Calculated chemistry of [ 51-74-1 ]

Physicochemical Properties

Num. heavy atoms : 18
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.4
Num. rotatable bonds : 2
Num. H-bond acceptors : 10.0
Num. H-bond donors : 8.0
Molar Refractivity : 59.59
TPSA : 229.84 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) : -13.17 cm/s

Lipophilicity

Log Po/w (iLOGP) : -1.87
Log Po/w (XLOGP3) : -7.04
Log Po/w (WLOGP) : -1.95
Log Po/w (MLOGP) : -4.26
Log Po/w (SILICOS-IT) : 0.86
Consensus Log Po/w : -2.85

Druglikeness

Lipinski : 2.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 3.0
Bioavailability Score : 0.17

Water Solubility

Log S (ESOL) : 2.62
Solubility : 127000.0 mg/ml ; 414.0 mol/l
Class : Highly soluble
Log S (Ali) : 2.93
Solubility : 260000.0 mg/ml ; 846.0 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : -1.62
Solubility : 7.3 mg/ml ; 0.0238 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.48

Safety of [ 51-74-1 ]

Signal Word:Danger Class:8
Precautionary Statements:P261-P280-P305+P351+P338 UN#:3259
Hazard Statements:H302-H315-H317-H318-H334-H335 Packing Group:
GHS Pictogram:
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