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[ CAS No. 4319-49-7 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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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+
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Chemical Structure| 4319-49-7
Chemical Structure| 4319-49-7
Structure of 4319-49-7 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 4319-49-7 ]

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Product Details of [ 4319-49-7 ]

CAS No. :4319-49-7 MDL No. :MFCD00006174
Formula : C4H10N2O Boiling Point : -
Linear Structure Formula :H2NN(CH2)4O InChI Key :MKQLBNJQQZRQJU-UHFFFAOYSA-N
M.W : 102.14 Pubchem ID :20315
Synonyms :

Calculated chemistry of [ 4319-49-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 7
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 29.83
TPSA : 38.49 ?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) : -7.69 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.15
Log Po/w (XLOGP3) : -1.08
Log Po/w (WLOGP) : -1.19
Log Po/w (MLOGP) : -0.64
Log Po/w (SILICOS-IT) : -0.15
Consensus Log Po/w : -0.38

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : 0.21
Solubility : 165.0 mg/ml ; 1.61 mol/l
Class : Highly soluble
Log S (Ali) : 0.76
Solubility : 589.0 mg/ml ; 5.77 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 0.37
Solubility : 239.0 mg/ml ; 2.34 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.7

Safety of [ 4319-49-7 ]

Signal Word:Danger Class:3,8
Precautionary Statements:P280-P305+P351+P338-P310 UN#:2733
Hazard Statements:H225-H302-H314 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 4319-49-7 ]

* 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 [ 4319-49-7 ]

[ 4319-49-7 ] Synthesis Path-Downstream   1~5

  • 1
  • [ 4319-49-7 ]
  • [ 287730-14-7 ]
  • [ 1352002-43-7 ]
  • 3
  • [ 4319-49-7 ]
  • [ 192189-07-4 ]
  • [ 1376002-07-1 ]
  • 4
  • [ 4319-49-7 ]
  • [ 13472-61-2 ]
  • C10H15N3O4S [ No CAS ]
  • 5
  • [ 4319-49-7 ]
  • [ 20651-67-6 ]
  • [ 898082-20-7 ]
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