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Home > Imidazoles > 88346-05-8
88346-05-8 | 1H-Imidazolium, 1,1'-methylenebis[3-(phenylmethyl)-, dichloride
CAS No: 88346-05-8 Catalog No: AG0047Q3 MDL No:
Product Description
Catalog Number:
AG0047Q3
Chemical Name:
1H-Imidazolium, 1,1'-methylenebis[3-(phenylmethyl)-, dichloride
CAS Number:
88346-05-8
Molecular Formula:
C21H26Cl2N4
Molecular Weight:
405.3639
IUPAC Name:
3-benzyl-1-[(3-benzyl-1,2-dihydroimidazol-1-ium-1-yl)methyl]-1,2-dihydroimidazol-1-ium;dichloride
InChI:
InChI=1S/C21H24N4.2ClH/c1-3-7-20(8-4-1)15-22-11-13-24(17-22)19-25-14-12-23(18-25)16-21-9-5-2-6-10-21;;/h1-14H,15-19H2;2*1H
InChI Key:
BEELIOLIPRSFIM-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN1C=C[NH+](C1)C[NH+]1C=CN(C1)Cc1ccccc1.[Cl-].[Cl-]
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.153g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
405.367g/mol
Monoisotopic Mass:
404.153g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
15.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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