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10001-51-1 | 1-Butanone, 1-(4-methyl-1-piperazinyl)-
CAS No: 10001-51-1 Catalog No: AG0000AQ MDL No:
Product Description
Catalog Number:
AG0000AQ
Chemical Name:
1-Butanone, 1-(4-methyl-1-piperazinyl)-
CAS Number:
10001-51-1
Molecular Formula:
C9H18N2O
Molecular Weight:
170.2520
IUPAC Name:
1-(4-methylpiperazin-1-yl)butan-1-one
InChI:
InChI=1S/C9H18N2O/c1-3-4-9(12)11-7-5-10(2)6-8-11/h3-8H2,1-2H3
InChI Key:
KZGIXRKCQDHVIX-UHFFFAOYSA-N
SMILES:
CCCC(=O)N1CCN(CC1)C
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.142g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.256g/mol
Monoisotopic Mass:
170.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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