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129277-60-7 | 1,10-Phenanthroline, 2,2'-(1,4-butanediyl)bis[9-butyl- (9CI)
CAS No: 129277-60-7 Catalog No: AG000Z1W MDL No:
Product Description
Catalog Number:
AG000Z1W
Chemical Name:
1,10-Phenanthroline, 2,2'-(1,4-butanediyl)bis[9-butyl- (9CI)
CAS Number:
129277-60-7
Molecular Formula:
C36H38N4
Molecular Weight:
526.7137
IUPAC Name:
2-butyl-9-[4-(9-butyl-1,10-phenanthrolin-2-yl)butyl]-1,10-phenanthroline
InChI:
InChI=1S/C36H38N4/c1-3-5-9-29-21-17-25-13-15-27-19-23-31(39-35(27)33(25)37-29)11-7-8-12-32-24-20-28-16-14-26-18-22-30(10-6-4-2)38-34(26)36(28)40-32/h13-24H,3-12H2,1-2H3
InChI Key:
BRDWJEFSQKJWIX-UHFFFAOYSA-N
SMILES:
CCCCc1ccc2c(n1)c1nc(CCCCc3ccc4c(n3)c3nc(CCCC)ccc3cc4)ccc1cc2
Properties
Complexity:
695
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
526.31g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
526.728g/mol
Monoisotopic Mass:
526.31g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.5
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