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[ CAS No. 60792-79-2 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 60792-79-2
Chemical Structure| 60792-79-2
Structure of 60792-79-2 * Storage: {[proInfo.prStorage]}

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Product Details of [ 60792-79-2 ]

CAS No. :60792-79-2 MDL No. :MFCD00012891
Formula : C4H14Cl2N2O Boiling Point : -
Linear Structure Formula :- InChI Key :KTCUXFVANABSPX-UHFFFAOYSA-N
M.W : 177.07 Pubchem ID :2829023
Synonyms :
Chemical Name :2,2'-Oxybis(ethylamine) dihydrochloride

Calculated chemistry of [ 60792-79-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 4
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 41.77
TPSA : 61.27 ?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) : -7.52 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : -0.2
Log Po/w (WLOGP) : 0.52
Log Po/w (MLOGP) : -0.27
Log Po/w (SILICOS-IT) : -0.81
Consensus Log Po/w : -0.15

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.55
Solubility : 50.2 mg/ml ; 0.283 mol/l
Class : Very soluble
Log S (Ali) : -0.63
Solubility : 41.5 mg/ml ; 0.234 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.45
Solubility : 62.8 mg/ml ; 0.355 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.43

Safety of [ 60792-79-2 ]

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 [ 60792-79-2 ]

* 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 [ 60792-79-2 ]

[ 60792-79-2 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 6492-86-0 ]
  • [ 60792-79-2 ]
  • [ 889880-33-5 ]
YieldReaction ConditionsOperation in experiment
With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 170℃; for 0.0833333h;Microwave irradiation; A suspension of 0.2 M 2,2'-oxydiethylamine dihydrochloride (0.167 gm, 0.92 mmole) and 0.4 M DIEA (0.40 ml, 2.3 mmole) in 2.5 DMF was added to <strong>[6492-86-0]4-amino-1,8-naphthalic anhydride</strong> (0.067 gm, 0.30 mmole) and heated at 170 C with microwave treatment under nitrogen for 10 minutes. The mixture was cooled, concentrated under vacuum, and purified by preparatory HPLC to give N-aminoethylethoxy-4-amino- EPO <DP n="99"/>1,8 naphthalimide 8. MS m/z 300 (M + H)+
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