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13239-45-7 | 1,3-Benzenedicarboximidamide, N1,N3-bis[4-[imino(methylamino)methyl]phenyl]-, hydrochloride (1:4)
CAS No: 13239-45-7 Catalog No: AG0010N0 MDL No:
Product Description
Catalog Number:
AG0010N0
Chemical Name:
1,3-Benzenedicarboximidamide, N1,N3-bis[4-[imino(methylamino)methyl]phenyl]-, hydrochloride (1:4)
CAS Number:
13239-45-7
Molecular Formula:
C24H30Cl4N8
Molecular Weight:
572.3606
IUPAC Name:
1-N',3-N'-bis[4-(N'-methylcarbamimidoyl)phenyl]benzene-1,3-dicarboximidamide
InChI:
InChI=1S/C24H26N8/c1-29-21(25)15-6-10-19(11-7-15)31-23(27)17-4-3-5-18(14-17)24(28)32-20-12-8-16(9-13-20)22(26)30-2/h3-14H,1-2H3,(H2,25,29)(H2,26,30)(H2,27,31)(H2,28,32)
InChI Key:
VTGCXWBEYAILBI-UHFFFAOYSA-N
SMILES:
CNC(=N)c1ccc(cc1)NC(=N)c1cccc(c1)C(=N)Nc1ccc(cc1)C(=N)NC.Cl.Cl.Cl.Cl
Properties
Complexity:
664
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.228g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
426.528g/mol
Monoisotopic Mass:
426.228g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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