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161459-57-0 | 2-Piperazinone, 4-(3-hydroxypropyl)-3,3-dimethyl-
CAS No: 161459-57-0 Catalog No: AG001SI2 MDL No:
Product Description
Catalog Number:
AG001SI2
Chemical Name:
2-Piperazinone, 4-(3-hydroxypropyl)-3,3-dimethyl-
CAS Number:
161459-57-0
Molecular Formula:
C9H18N2O2
Molecular Weight:
186.2514
IUPAC Name:
4-(3-hydroxypropyl)-3,3-dimethylpiperazin-2-one
InChI:
InChI=1S/C9H18N2O2/c1-9(2)8(13)10-4-6-11(9)5-3-7-12/h12H,3-7H2,1-2H3,(H,10,13)
InChI Key:
HRTFIRHLZBOCQX-UHFFFAOYSA-N
SMILES:
OCCCN1CCNC(=O)C1(C)C
Properties
Complexity:
192
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:
2
Isotope Atom Count:
0
Molecular Weight:
186.255g/mol
Monoisotopic Mass:
186.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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