Home Other Building Blocks 1,4-Benzenedicarboximidamide, dihydrochloride

1,4-Benzenedicarboximidamide, dihydrochloride

CAS No.:
14401-56-0
Catalog Number:
AG01CC7H
Molecular Formula:
C8H12Cl2N4
Molecular Weight:
235.1137
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Product Description
Catalog Number:
AG01CC7H
Chemical Name:
1,4-Benzenedicarboximidamide, dihydrochloride
CAS Number:
14401-56-0
Molecular Formula:
C8H12Cl2N4
Molecular Weight:
235.1137
MDL Number:
MFCD00136761
IUPAC Name:
benzene-1,4-dicarboximidamide;dihydrochloride
InChI:
InChI=1S/C8H10N4.2ClH/c9-7(10)5-1-2-6(4-3-5)8(11)12;;/h1-4H,(H3,9,10)(H3,11,12);2*1H
InChI Key:
XFIJMILWUMIXPQ-UHFFFAOYSA-N
SMILES:
NC(=N)c1ccc(cc1)C(=N)N.Cl.Cl
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.044g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
235.112g/mol
Monoisotopic Mass:
234.044g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
99.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Discovery of small molecule CXCR4 antagonists. Journal of medicinal chemistry 20071115
Properties