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1,4-Bis(2-methylimidazol-1-yl)butane

Catalog Number
ACM52550637-1
Product Name
1,4-Bis(2-methylimidazol-1-yl)butane
CAS
52550-63-7
Category
Nitrogen-containing MOF ligand-binary nitrogen-containing MOF ligand
IUPAC Name
2-methyl-1-[4-(2-methylimidazol-1-yl)butyl]imidazole
Molecular Weight
218.30g/mol
Molecular Formula
C12H18N4
InChI
InChI=1S/C12H18N4/c1-11-13-5-9-15(11)7-3-4-8-16-10-6-14-12(16)2/h5-6,9-10H,3-4,7-8H2,1-2H3
InChI Key
VWSRHOIRMGHAPR-UHFFFAOYSA-N
Complexity
187
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
218.153146591g/mol
Formal Charge
0
Heavy Atom Count
16
Hydrogen Bond Acceptor Count
2
Hydrogen Bond Donor Count
0
Isotope Atom Count
0
Monoisotopic Mass
218.153146591g/mol
Rotatable Bond Count
5
Topological Polar Surface Area
35.6Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
1.2
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