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Home > Imidazoles > 111128-04-2
111128-04-2 | 1H-Imidazole, 1,1'-methylenebis[2-methyl-
CAS No: 111128-04-2 Catalog No: AG007BHD MDL No:
Product Description
Catalog Number:
AG007BHD
Chemical Name:
1H-Imidazole, 1,1'-methylenebis[2-methyl-
CAS Number:
111128-04-2
Molecular Formula:
C9H12N4
Molecular Weight:
176.2184
IUPAC Name:
2-methyl-1-[(2-methylimidazol-1-yl)methyl]imidazole
InChI:
InChI=1S/C9H12N4/c1-8-10-3-5-12(8)7-13-6-4-11-9(13)2/h3-6H,7H2,1-2H3
InChI Key:
NROHHURPLSQZLB-UHFFFAOYSA-N
SMILES:
Cc1nccn1Cn1ccnc1C
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.106g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.223g/mol
Monoisotopic Mass:
176.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Catena-poly[[dinitratocadmium(II)]bis[mu-bis(2-methyl-1H-imidazol-1-yl)methane-kappa(2)N(3):N(3')]]. | Acta crystallographica. Section C, Crystal structure communications 20071001 |
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