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119321-64-1 | Benzenemethanol, 4-[3-[4-(4-methoxyphenyl)-1-piperazinyl]propoxy]-
CAS No: 119321-64-1 Catalog No: AG000ILC MDL No:
Product Description
Catalog Number:
AG000ILC
Chemical Name:
Benzenemethanol, 4-[3-[4-(4-methoxyphenyl)-1-piperazinyl]propoxy]-
CAS Number:
119321-64-1
Molecular Formula:
C21H28N2O3
Molecular Weight:
356.4586
IUPAC Name:
[4-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanol
InChI:
InChI=1S/C21H28N2O3/c1-25-20-9-5-19(6-10-20)23-14-12-22(13-15-23)11-2-16-26-21-7-3-18(17-24)4-8-21/h3-10,24H,2,11-17H2,1H3
InChI Key:
JPPDBAUBEJZSDU-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)OCCCN1CCN(CC1)c1ccc(cc1)OC
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.21g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
356.466g/mol
Monoisotopic Mass:
356.21g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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