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1,2,4,5-tetrakis(imidazol-1-ylmethyl)benzene

Catalog Number
ACM475094907-2
Product Name
1,2,4,5-tetrakis(imidazol-1-ylmethyl)benzene
CAS
475094-90-7
Category
Nitrogen-containing MOF ligand-ternary nitrogen-containing MOF ligand
Synonyms
TIMB
IUPAC Name
1-[[2,4,5-tris(imidazol-1-ylmethyl)phenyl]methyl]imidazole
Molecular Weight
398.46
Molecular Formula
C22H22N8
InChI
InChI=1S/C22H22N8/c1-5-27(15-23-1)11-19-9-21(13-29-7-3-25-17-29)22(14-30-8-4-26-18-30)10-20(19)12-28-6-2-24-16-28/h1-10,15-18H,11-14H2
InChI Key
YSFJZLVJLAOPGF-UHFFFAOYSA-N
Purity
97%
Appearance
Yellow powder
Complexity
443
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
398.19674274g/mol
Formal Charge
0
Heavy Atom Count
30
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
0
Isotope Atom Count
0
Monoisotopic Mass
398.19674274g/mol
Rotatable Bond Count
8
Topological Polar Surface Area
71.3Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
0.7
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