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30459-17-7 | Piperazine, 1-[4-(trifluoromethyl)phenyl]-
CAS No: 30459-17-7 Catalog No: AG00306V MDL No:MFCD00040765
Product Description
Catalog Number:
AG00306V
Chemical Name:
Piperazine, 1-[4-(trifluoromethyl)phenyl]-
CAS Number:
30459-17-7
Molecular Formula:
C11H13F3N2
Molecular Weight:
230.2295
MDL Number:
MFCD00040765
IUPAC Name:
1-[4-(trifluoromethyl)phenyl]piperazine
InChI:
InChI=1S/C11H13F3N2/c12-11(13,14)9-1-3-10(4-2-9)16-7-5-15-6-8-16/h1-4,15H,5-8H2
InChI Key:
IBQMAPSJLHRQPE-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cc1)N1CCNCC1)(F)F
EC Number:
250-210-3
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.103g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.234g/mol
Monoisotopic Mass:
230.103g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Synthesis of novel 6-(4-substituted piperazine-1-yl)-9-(β-D-ribofuranosyl)purine derivatives, which lead to senescence-induced cell death in liver cancer cells. | Journal of medicinal chemistry 20120412 |
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