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1,2,3,4,5,6-Benzenehexamine

Catalog Number
ACM4444262-2
CAS Number
4444-26-2
Product Name
1,2,3,4,5,6-Benzenehexamine
Structure
Category
Two-dimensional MOF ligand
Synonyms
HAB
IUPAC Name
benzene-1,2,3,4,5,6-hexamine
Molecular Weight
168.20
Molecular Formula
C6H12N6
InChI
InChI=1S/C6H12N6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h7-12H2
InChI Key
OWSZUKMVEBFJMZ-UHFFFAOYSA-N
Melting Point
255 °C
Purity
95%
Appearance
White or brown solid
Complexity
104
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
168.11234441g/mol
Formal Charge
0
Heavy Atom Count
12
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
6
Isotope Atom Count
0
Monoisotopic Mass
168.11234441g/mol
Rotatable Bond Count
0
Topological Polar Surface Area
156Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
-2.2
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