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139674-07-0 | 3-Pentanone, 1-(4-methyl-1-piperazinyl)-
CAS No: 139674-07-0 Catalog No: AG001BGQ MDL No:
Product Description
Catalog Number:
AG001BGQ
Chemical Name:
3-Pentanone, 1-(4-methyl-1-piperazinyl)-
CAS Number:
139674-07-0
Molecular Formula:
C10H20N2O
Molecular Weight:
184.2786
IUPAC Name:
1-(4-methylpiperazin-1-yl)pentan-3-one
InChI:
InChI=1S/C10H20N2O/c1-3-10(13)4-5-12-8-6-11(2)7-9-12/h3-9H2,1-2H3
InChI Key:
CAOJJAFYPIETHL-UHFFFAOYSA-N
SMILES:
CCC(=O)CCN1CCN(CC1)C
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.158g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.283g/mol
Monoisotopic Mass:
184.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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