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[ CAS No. 38216-72-7 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
HazMat Fee +

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| 38216-72-7
Chemical Structure| 38216-72-7
Structure of 38216-72-7 * Storage: {[proInfo.prStorage]}

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Product Details of [ 38216-72-7 ]

CAS No. :38216-72-7 MDL No. :MFCD00049359
Formula : C8H18N2 Boiling Point : -
Linear Structure Formula :- InChI Key :PVMNSAIKFPWDQG-UHFFFAOYSA-N
M.W : 142.24 Pubchem ID :3530572
Synonyms :

Calculated chemistry of [ 38216-72-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 52.02
TPSA : 15.27 ?2

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) : -6.75 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.18
Log Po/w (XLOGP3) : 0.59
Log Po/w (WLOGP) : -0.07
Log Po/w (MLOGP) : 0.9
Log Po/w (SILICOS-IT) : 1.1
Consensus Log Po/w : 0.94

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.03
Solubility : 13.3 mg/ml ; 0.0938 mol/l
Class : Very soluble
Log S (Ali) : -0.48
Solubility : 46.7 mg/ml ; 0.328 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.56
Solubility : 3.9 mg/ml ; 0.0274 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.31

Safety of [ 38216-72-7 ]

Signal Word:Danger Class:8
Precautionary Statements:P264-P271-P280-P301+P330+P331-P304+P340-P305+P351+P338-P310-P363-P403+P233-P501 UN#:3259
Hazard Statements:H314-H400 Packing Group:
GHS Pictogram:
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