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101420-28-4 | 1H-Imidazole, 2,2',2''-(methoxymethylidyne)tris[1-methyl-
CAS No: 101420-28-4 Catalog No: AG0004H5 MDL No:
Product Description
Catalog Number:
AG0004H5
Chemical Name:
1H-Imidazole, 2,2',2''-(methoxymethylidyne)tris[1-methyl-
CAS Number:
101420-28-4
Molecular Formula:
C14H18N6O
Molecular Weight:
286.3323
IUPAC Name:
2-[methoxy-bis(1-methylimidazol-2-yl)methyl]-1-methylimidazole
InChI:
InChI=1S/C14H18N6O/c1-18-8-5-15-11(18)14(21-4,12-16-6-9-19(12)2)13-17-7-10-20(13)3/h5-10H,1-4H3
InChI Key:
MXPHTYRDOGPCCL-UHFFFAOYSA-N
SMILES:
COC(c1nccn1C)(c1nccn1C)c1nccn1C
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.154g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.339g/mol
Monoisotopic Mass:
286.154g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
Literature
| Title | Journal |
|---|---|
| Rhenium(I) compounds bound by tripodal ligands of pyridine and N-methylimidazole. | Dalton transactions (Cambridge, England : 2003) 20080721 |
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