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145943-75-5 | Ethanone, 1-[4-(3-hydroxypropyl)-1-piperazinyl]-
CAS No: 145943-75-5 Catalog No: AG001DJ1 MDL No:
Product Description
Catalog Number:
AG001DJ1
Chemical Name:
Ethanone, 1-[4-(3-hydroxypropyl)-1-piperazinyl]-
CAS Number:
145943-75-5
Molecular Formula:
C9H18N2O2
Molecular Weight:
186.2514
IUPAC Name:
1-[4-(3-hydroxypropyl)piperazin-1-yl]ethanone
InChI:
InChI=1S/C9H18N2O2/c1-9(13)11-6-4-10(5-7-11)3-2-8-12/h12H,2-8H2,1H3
InChI Key:
LCYDEQUXFYPGKY-UHFFFAOYSA-N
SMILES:
OCCCN1CCN(CC1)C(=O)C
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.137g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.255g/mol
Monoisotopic Mass:
186.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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