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1021426-42-5 | Ethanone, 1-[4-(4-amino-3-methoxyphenyl)-1-piperazinyl]-
CAS No: 1021426-42-5 Catalog No: AG0006Q7 MDL No:MFCD19174778
Product Description
Catalog Number:
AG0006Q7
Chemical Name:
Ethanone, 1-[4-(4-amino-3-methoxyphenyl)-1-piperazinyl]-
CAS Number:
1021426-42-5
Molecular Formula:
C13H19N3O2
Molecular Weight:
249.3089
MDL Number:
MFCD19174778
IUPAC Name:
1-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]ethanone
InChI:
InChI=1S/C13H19N3O2/c1-10(17)15-5-7-16(8-6-15)11-3-4-12(14)13(9-11)18-2/h3-4,9H,5-8,14H2,1-2H3
InChI Key:
OJCNMAFGNSFBOO-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1N)N1CCN(CC1)C(=O)C
UNII:
23HOW335J0
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.148g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.314g/mol
Monoisotopic Mass:
249.148g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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