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13239-52-6 | 1,4-Benzenedicarboximidamide, N1,N4-diphenyl-, hydrochloride (1:2)
CAS No: 13239-52-6 Catalog No: AG0010MZ MDL No:
Product Description
Catalog Number:
AG0010MZ
Chemical Name:
1,4-Benzenedicarboximidamide, N1,N4-diphenyl-, hydrochloride (1:2)
CAS Number:
13239-52-6
Molecular Formula:
C20H20Cl2N4
Molecular Weight:
387.3056
IUPAC Name:
1-N',4-N'-diphenylbenzene-1,4-dicarboximidamide
InChI:
InChI=1S/C20H18N4/c21-19(23-17-7-3-1-4-8-17)15-11-13-16(14-12-15)20(22)24-18-9-5-2-6-10-18/h1-14H,(H2,21,23)(H2,22,24)
InChI Key:
XCYOVCUVPYPQNK-UHFFFAOYSA-N
SMILES:
N=C(c1ccc(cc1)C(=N)Nc1ccccc1)Nc1ccccc1.Cl.Cl
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.153g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.392g/mol
Monoisotopic Mass:
314.153g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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