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[ CAS No. 3114-70-3 ] {[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| 3114-70-3
Chemical Structure| 3114-70-3
Structure of 3114-70-3 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 3114-70-3 ]

Related Doc. of [ 3114-70-3 ]

Alternatived Products of [ 3114-70-3 ]
Product Citations

Product Details of [ 3114-70-3 ]

CAS No. :3114-70-3 MDL No. :MFCD00035862
Formula : C6H14N2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :VKIRRGRTJUUZHS-UHFFFAOYSA-N
M.W : 114.19 Pubchem ID :18374
Synonyms :

Calculated chemistry of [ 3114-70-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 8
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 34.26
TPSA : 52.04 ?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) : -7.22 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.43
Log Po/w (XLOGP3) : -0.32
Log Po/w (WLOGP) : 0.21
Log Po/w (MLOGP) : 0.21
Log Po/w (SILICOS-IT) : 0.15
Consensus Log Po/w : 0.34

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.35
Solubility : 51.4 mg/ml ; 0.45 mol/l
Class : Very soluble
Log S (Ali) : -0.31
Solubility : 55.7 mg/ml ; 0.488 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.31
Solubility : 55.8 mg/ml ; 0.489 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.93

Safety of [ 3114-70-3 ]

Signal Word:Danger Class:8
Precautionary Statements:P280-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338-P310 UN#:3259
Hazard Statements:H314 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 3114-70-3 ]

* 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.

  • Downstream synthetic route of [ 3114-70-3 ]

[ 3114-70-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 67-56-1 ]
  • (dimethylglyoxime)2(H2O)CoMe [ No CAS ]
  • [ 3114-70-3 ]
  • [ 4151-80-8 ]
  • [ 7732-18-5 ]
  • [(cobalt(III)(methyl)(dimethylglyoxime(-H))(dimethylglyoxime(-H2)))2(CH3OBC6H4)2(1,6-diaminohexane)]*2H2O [ No CAS ]
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