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100500-91-2 | 2-Propanone, 1-[4-(2-propen-1-yl)-1-piperazinyl]-
CAS No: 100500-91-2 Catalog No: AG00026A MDL No:
Product Description
Catalog Number:
AG00026A
Chemical Name:
2-Propanone, 1-[4-(2-propen-1-yl)-1-piperazinyl]-
CAS Number:
100500-91-2
Molecular Formula:
C10H18N2O
Molecular Weight:
182.2627
IUPAC Name:
1-(4-prop-2-enylpiperazin-1-yl)propan-2-one
InChI:
InChI=1S/C10H18N2O/c1-3-4-11-5-7-12(8-6-11)9-10(2)13/h3H,1,4-9H2,2H3
InChI Key:
WMTTYRSYGMSZDW-UHFFFAOYSA-N
SMILES:
C=CCN1CCN(CC1)CC(=O)C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.142g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.267g/mol
Monoisotopic Mass:
182.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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