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85239-23-2 | 1-Piperazineethanol, 4-(2-methylphenyl)-alpha-((8-quinolinyloxy)methyl )-
CAS No: 85239-23-2 Catalog No: AG00GKV8 MDL No:
Product Description
Catalog Number:
AG00GKV8
Chemical Name:
1-Piperazineethanol, 4-(2-methylphenyl)-alpha-((8-quinolinyloxy)methyl )-
CAS Number:
85239-23-2
IUPAC Name:
1-[4-(2-methylphenyl)piperazin-1-yl]-3-quinolin-8-yloxypropan-2-ol
InChI:
InChI=1S/C23H27N3O2/c1-18-6-2-3-9-21(18)26-14-12-25(13-15-26)16-20(27)17-28-22-10-4-7-19-8-5-11-24-23(19)22/h2-11,20,27H,12-17H2,1H3
InChI Key:
XMMYUYCWRCBQPQ-UHFFFAOYSA-N
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.21g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
377.488g/mol
Monoisotopic Mass:
377.21g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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