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79072-08-5 | Piperazine, 1-butyl-4-(4'-hexyl[1,1'-biphenyl]-4-yl)-
CAS No: 79072-08-5 Catalog No: AG005BR0 MDL No:
Product Description
Catalog Number:
AG005BR0
Chemical Name:
Piperazine, 1-butyl-4-(4'-hexyl[1,1'-biphenyl]-4-yl)-
CAS Number:
79072-08-5
Molecular Formula:
C26H38N2
Molecular Weight:
378.5933
IUPAC Name:
1-butyl-4-[4-(4-hexylphenyl)phenyl]piperazine
InChI:
InChI=1S/C26H38N2/c1-3-5-7-8-9-23-10-12-24(13-11-23)25-14-16-26(17-15-25)28-21-19-27(20-22-28)18-6-4-2/h10-17H,3-9,18-22H2,1-2H3
InChI Key:
JLSOOOYHRRJLEU-UHFFFAOYSA-N
SMILES:
CCCCCCc1ccc(cc1)c1ccc(cc1)N1CCN(CC1)CCCC
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.303g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.604g/mol
Monoisotopic Mass:
378.303g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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