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119321-62-9 | Benzenemethanol, 3-[3-(4-phenyl-1-piperazinyl)propoxy]-
CAS No: 119321-62-9 Catalog No: AG000ILE MDL No:
Product Description
Catalog Number:
AG000ILE
Chemical Name:
Benzenemethanol, 3-[3-(4-phenyl-1-piperazinyl)propoxy]-
CAS Number:
119321-62-9
Molecular Formula:
C20H26N2O2
Molecular Weight:
326.4326
IUPAC Name:
[3-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]methanol
InChI:
InChI=1S/C20H26N2O2/c23-17-18-6-4-9-20(16-18)24-15-5-10-21-11-13-22(14-12-21)19-7-2-1-3-8-19/h1-4,6-9,16,23H,5,10-15,17H2
InChI Key:
JKQJIPWIWKKHJH-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1)OCCCN1CCN(CC1)c1ccccc1
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.199g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.44g/mol
Monoisotopic Mass:
326.199g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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