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101252-14-6,MFCD00448709
Catalog No.:AA0003ZS
101252-14-6 | 1-(2,4-Dichlorophenyl)biguanide, HCl
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1mg
3 weeks  
$214.00   $150.00
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5mg
3 weeks  
$231.00   $162.00
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10mg
3 weeks  
$264.00   $185.00
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20mg
3 weeks  
$322.00   $226.00
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500mg
3 weeks  
$561.00   $393.00
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0003ZS
Chemical Name:
1-(2,4-Dichlorophenyl)biguanide, HCl
CAS Number:
101252-14-6
Molecular Formula:
C8H9Cl2N5
Molecular Weight:
246.0966
MDL Number:
MFCD00448709
IUPAC Name:
1-(diaminomethylidene)-2-(2,4-dichlorophenyl)guanidine
InChI:
InChI=1S/C8H9Cl2N5/c9-4-1-2-6(5(10)3-4)14-8(13)15-7(11)12/h1-3H,(H6,11,12,13,14,15)
InChI Key:
YUOBDYAVSVCCNI-UHFFFAOYSA-N
SMILES:
NC(=N)NC(=N)Nc1ccc(cc1Cl)Cl
Properties
Computed Properties
 
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.024g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
246.095g/mol
Monoisotopic Mass:
245.024g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

Synonyms
 
101252-14-6 
N-(2,4-dichlorophenyl)imidodicarbonimidic diamide 
CTK0H2390 
DTXSID20328758 
HMS1594H22 
ZINC528557 
ALBB-022021 
ZX-AN037608 
BDBM50195099 
MFCD00448709 
STK107178 
AKOS002224859 
1-carbamimidamido-N-(2,4-dichlorophenyl)methanimidamide 
JS-3044 
MCULE-4837327258 
NCGC00335725-01 
R3057 
ST50106273 
KS-00002779 
AB00365130-03 
Imidodicarbonimidic diamide, N-(2,4-dichlorophenyl)- 
amino{[(2,4-dichlorophenyl)amino]iminomethyl}carboxamidine 
C8H9Cl2N5 
CHEMBL220979 
NSC51941 
CID413785 
1-(2,4-Dichlorophenyl)biguanide hydrochloride 
Imidodicarbonimidicdiamide, N-(2,4-dichlorophenyl)- 
1-(2,4-Dichlorophenyl)biguanide 
ACMC-20m4au 
AC1L969H 
SCHEMBL4098884 
1-(diaminomethylidene)-2-(2,4-dichlorophenyl)guanidine 
Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Discovery of small molecule inhibitors of integrin alphavbeta3 through structure-based virtual screening.

Journal: Bioorganic & medicinal chemistry letters 20061115

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