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Home > Imidazoles > 168322-09-6
168322-09-6 | 1,10-Decanediol, 1,1,10,10-tetrakis(1-methyl-1H-imidazol-2-yl)-
CAS No: 168322-09-6 Catalog No: AG001Y0E MDL No:
Product Description
Catalog Number:
AG001Y0E
Chemical Name:
1,10-Decanediol, 1,1,10,10-tetrakis(1-methyl-1H-imidazol-2-yl)-
CAS Number:
168322-09-6
Molecular Formula:
C26H38N8O2
Molecular Weight:
494.6323
IUPAC Name:
1,1,10,10-tetrakis(1-methylimidazol-2-yl)decane-1,10-diol
InChI:
InChI=1S/C26H38N8O2/c1-31-17-13-27-21(31)25(35,22-28-14-18-32(22)2)11-9-7-5-6-8-10-12-26(36,23-29-15-19-33(23)3)24-30-16-20-34(24)4/h13-20,35-36H,5-12H2,1-4H3
InChI Key:
YPLHLXUUGPXENP-UHFFFAOYSA-N
SMILES:
Cn1ccnc1C(c1nccn1C)(CCCCCCCCC(c1nccn1C)(c1nccn1C)O)O
Properties
Complexity:
588
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
494.312g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
494.644g/mol
Monoisotopic Mass:
494.312g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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