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[ CAS No. 56-34-8 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 56-34-8
Chemical Structure| 56-34-8
Structure of 56-34-8 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 56-34-8 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 56-34-8 ]

SDS Specification
Alternatived Products of [ 56-34-8 ]
Product Citations

Product Details of [ 56-34-8 ]

CAS No. :56-34-8 MDL No. :MFCD00011828
Formula : C8H20ClN Boiling Point : -
Linear Structure Formula :- InChI Key :YMBCJWGVCUEGHA-UHFFFAOYSA-M
M.W : 165.70 Pubchem ID :5946
Synonyms :
TEA chloride

Calculated chemistry of [ 56-34-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 4
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 48.8
TPSA : 0.0 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -9.55 cm/s

Lipophilicity

Log Po/w (iLOGP) : -2.09
Log Po/w (XLOGP3) : -3.15
Log Po/w (WLOGP) : -1.11
Log Po/w (MLOGP) : -1.15
Log Po/w (SILICOS-IT) : 1.2
Consensus Log Po/w : -1.26

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 3.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : 1.38
Solubility : 3990.0 mg/ml ; 24.1 mol/l
Class : Highly soluble
Log S (Ali) : 3.72
Solubility : 865000.0 mg/ml ; 5220.0 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : -3.07
Solubility : 0.142 mg/ml ; 0.000859 mol/l
Class : Soluble

Medicinal Chemistry

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

Safety of [ 56-34-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 56-34-8 ]

* 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 [ 56-34-8 ]

[ 56-34-8 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 2039-83-0 ]
  • [ 56-34-8 ]
  • permanganate(VII) ion [ No CAS ]
  • (CH3CH2)4N(1+)*Cl2C6H3CHCH2MnO4(1-)=(CH3CH2)4NCl2C6H3CHCH2MnO4 [ No CAS ]
Reference： [1]Organic and Biomolecular Chemistry,2003,vol. 1,p. 2771 - 2776
  • 2
  • [ 109-99-9 ]
  • [ 18039-90-2 ]
  • [ 56-34-8 ]
  • 3N(C2H5)4(1+)*Ti2Cl9(3-)*5CH2Cl2 = [N(C2H5)4]3[Ti2Cl9]*5CH2Cl2 [ No CAS ]
Reference： [1]Chemical Communications,1996,p. 2177 - 2178
  • 3
  • [ 773-76-2 ]
  • dysprosium(III) chloride hexahydrate [ No CAS ]
  • [ 56-34-8 ]
  • potassium nitrate [ No CAS ]
  • C72H32Cl16Dy2KN8O8(1-)*C8H20N(1+) [ No CAS ]
Reference： [1]Chemical Science,2017,vol. 9,p. 199 - 208
  • 4
  • [ 773-76-2 ]
  • dysprosium(III) chloride hexahydrate [ No CAS ]
  • [ 56-34-8 ]
  • C36H16Cl8DyN4O4(1-)*C8H20N(1+) [ No CAS ]
Reference： [1]Chemical Science,2017,vol. 9,p. 199 - 208

Tags: 56-34-8 synthesis path| 56-34-8 SDS| 56-34-8 COA| 56-34-8 purity| 56-34-8 application| 56-34-8 NMR| 56-34-8 COA| 56-34-8 structure

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