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[ CAS No. 1068-57-1 ] {[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| 1068-57-1
Chemical Structure| 1068-57-1
Structure of 1068-57-1 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 1068-57-1 ]

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Product Citations

Product Details of [ 1068-57-1 ]

CAS No. :1068-57-1 MDL No. :MFCD00007610
Formula : C2H6N2O Boiling Point : -
Linear Structure Formula :H2NN(H)C(CH3)O InChI Key :OFLXLNCGODUUOT-UHFFFAOYSA-N
M.W : 74.08 Pubchem ID :14039
Synonyms :

Calculated chemistry of [ 1068-57-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 5
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.5
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 17.44
TPSA : 55.12 ?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) : -7.87 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.56
Log Po/w (XLOGP3) : -1.58
Log Po/w (WLOGP) : -1.0
Log Po/w (MLOGP) : -0.96
Log Po/w (SILICOS-IT) : -1.22
Consensus Log Po/w : -0.84

Druglikeness

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

Water Solubility

Log S (ESOL) : 0.76
Solubility : 428.0 mg/ml ; 5.78 mol/l
Class : Highly soluble
Log S (Ali) : 0.93
Solubility : 632.0 mg/ml ; 8.53 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 0.23
Solubility : 124.0 mg/ml ; 1.68 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.0

Safety of [ 1068-57-1 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P201-P202-P264-P270-P280-P301+P310+P330-P302+P352-P305+P351+P338-P308+P313-P332+P313-P337+P313-P405-P501 UN#:2811
Hazard Statements:H301-H315-H319-H341-H351 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 1068-57-1 ]

* 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 [ 1068-57-1 ]

[ 1068-57-1 ] Synthesis Path-Downstream   1~5

  • 1
  • [ 3034-48-8 ]
  • [ 1068-57-1 ]
  • [ 32081-10-0 ]
  • 2
  • [ 62-55-5 ]
  • [ 1068-57-1 ]
  • [ 7343-34-2 ]
  • 3
  • [ 15513-48-1 ]
  • [ 1068-57-1 ]
  • Acetic acid N'-(2,6-dimethyl-3-nitro-pyridin-4-yl)-hydrazide; hydrochloride [ No CAS ]
  • 4
  • [ 1068-57-1 ]
  • [ 23056-35-1 ]
  • Acetic acid N'-(2-methyl-3-nitro-pyridin-4-yl)-hydrazide; hydrochloride [ No CAS ]
  • 5
  • [ 56-81-5 ]
  • [ 20845-34-5 ]
  • [ 39986-37-3 ]
  • [ 2786-22-3 ]
  • 3,5-dihydroxycyclohexanamine [ No CAS ]
  • [ 75-07-0 ]
  • [ 64-19-7 ]
  • [ 3332-08-9 ]
  • [ 802294-64-0 ]
  • [ 1068-57-1 ]
  • [ 107-18-6 ]
  • [ 116-09-6 ]
  • [ 107-02-8 ]
  • [ 17167-73-6 ]
  • [ 68078-09-1 ]
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