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[ CAS No. 1937-19-5 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 1937-19-5
Chemical Structure| 1937-19-5
Structure of 1937-19-5 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 1937-19-5 ]

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Product Citations

Product Details of [ 1937-19-5 ]

CAS No. :1937-19-5 MDL No. :MFCD00039074
Formula : CH7ClN4 Boiling Point : -
Linear Structure Formula :- InChI Key :UBDZFAGVPPMTIT-UHFFFAOYSA-N
M.W : 110.55 Pubchem ID :2734687
Synonyms :
Pimagedine hydrochloride;GER-11;Guanylhydrazine hydrochloride;GER11. aminoguanidine. Pimagedine hydrochloride;MDL201228;YM-585;Pimagedine, MDL-201228;Aminoguanidine (hydrochloride);Monoaminoguanidine;Imino semicarbazide;Hydrazinecarboximidamide;Guanyl hydrazine;Pimagedine;Aminoguanidinium chloride;Aminoguanidine hydrochloride
Chemical Name :Aminoguanidine hydrochloride

Calculated chemistry of [ 1937-19-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 6
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 4.0
Molar Refractivity : 25.69
TPSA : 87.92 ?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) : -7.61 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : -0.89
Log Po/w (WLOGP) : -0.85
Log Po/w (MLOGP) : -1.0
Log Po/w (SILICOS-IT) : -1.01
Consensus Log Po/w : -0.75

Druglikeness

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

Water Solubility

Log S (ESOL) : 0.1
Solubility : 140.0 mg/ml ; 1.26 mol/l
Class : Highly soluble
Log S (Ali) : -0.47
Solubility : 37.1 mg/ml ; 0.336 mol/l
Class : Very soluble
Log S (SILICOS-IT) : 0.83
Solubility : 742.0 mg/ml ; 6.71 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 3.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.68

Safety of [ 1937-19-5 ]

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

Application In Synthesis of [ 1937-19-5 ]

* 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 [ 1937-19-5 ]

[ 1937-19-5 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 21221-93-2 ]
  • [ 1937-19-5 ]
  • 3,5-Bis-(trifluormethyl)-benzophenon-guanylhydrazon [ No CAS ]
  • 2
  • [ 342-25-6 ]
  • [ 1937-19-5 ]
  • 4,2'-Difluor-benzophenon-guanylhydrazon [ No CAS ]
  • 3
  • [ 2011-66-7 ]
  • [ 1937-19-5 ]
  • [ 136623-22-8 ]
  • 4
  • [ 16611-67-9 ]
  • [ 1937-19-5 ]
  • [ 146470-09-9 ]
  • 5
  • [ 66-39-7 ]
  • [ 1937-19-5 ]
  • [ 102451-50-3 ]
  • 6
  • [ 30263-65-1 ]
  • [ 1937-19-5 ]
  • [ 937-02-0 ]
  • 6-<i>tert</i>-butyl-[1,2,4]triazin-3-ylamine [ No CAS ]
  • 7
  • [ 1937-19-5 ]
  • [ 25847-32-9 ]
  • [ 937-02-0 ]
  • 6-<i>tert</i>-butyl-[1,2,4]triazin-3-ylamine [ No CAS ]
  • 8
  • [ 4126-60-7 ]
  • [ 1937-19-5 ]
  • [ 1315607-28-3 ]
  • 9
  • [ 2040-05-3 ]
  • [ 1937-19-5 ]
  • (E)-2-(1-(2,6-dichlorophenyl)ethylidene)hydrazinecarboximidamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
12% With sulfuric acid; In ethanol;Reflux; <strong>[2040-05-3]1-(2,6-dichlorophenyl)ethanone</strong> (373 mg, 1.97 mmol) and aminoguanidine hydrochloride (218 mg, 1.97 mmol) were refluxed in 10 ml EtOH with 78 ul of concentrated H2SO4 for 3 h. The reaction mixture was neutralized with 1N NaOH to PH=13. The solvent was evaporated and the residue was purified by silica gel chromatography using DCM/MeOH/NH3. H2O, to obtain the title compound as a white powder (12percent yield). 1H NMR (600 MHz, cd3od) delta 7.39 (d, J=7.9 Hz, 2H), 7.30 (t, J=8.0 Hz, 1H), 2.18 (s, 3H). 13C NMR (151 MHz, cd3od) delta 159.47, 147.37, 137.15, 132.11, 129.84, 127.75, 21.20. ESI-HRMS Calc m/z (M+H)+ Calc m/z 245.0355 Found 245.0359. HPLC 95.25percent purity tR=5.11 min.
  • 10
  • [ 175711-83-8 ]
  • [ 1937-19-5 ]
  • (E)-2-(1-(4-chloro-2-fluorophenyl)ethylidene)hydrazine-1-carboximidamide [ No CAS ]
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