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150558-02-4 | 1-Decanone, 1-(4-phenyl-1-piperazinyl)-
CAS No: 150558-02-4 Catalog No: AG001MQG MDL No:
Product Description
Catalog Number:
AG001MQG
Chemical Name:
1-Decanone, 1-(4-phenyl-1-piperazinyl)-
CAS Number:
150558-02-4
Molecular Formula:
C20H32N2O
Molecular Weight:
316.4809
IUPAC Name:
1-(4-phenylpiperazin-1-yl)decan-1-one
InChI:
InChI=1S/C20H32N2O/c1-2-3-4-5-6-7-11-14-20(23)22-17-15-21(16-18-22)19-12-9-8-10-13-19/h8-10,12-13H,2-7,11,14-18H2,1H3
InChI Key:
GBGWDNHHMJAXDJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(=O)N1CCN(CC1)c1ccccc1
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.251g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.489g/mol
Monoisotopic Mass:
316.251g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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